bis(N'-(5-tert-butyl-2-methoxycarbonylthiophen-3-yl)-N-(1H-pyrrol-3-yl)carbamimidate);1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(4-methylthiophen-2-yl)urea;methyl 5-tert-butyl-3-[(3,4-dichlorophenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-1-methyl-3-[(4-methylphenyl)carbamoylamino]pyrrole-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]-1H-pyrrole-2-carboxylate;propane

C157H207Cl2N25O29S6-2 — CID 159552204

About bis(N'-(5-tert-butyl-2-methoxycarbonylthiophen-3-yl)-N-(1H-pyrrol-3-yl)carbamimidate);1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(4-methylthiophen-2-yl)urea;methyl 5-tert-butyl-3-[(3,4-dichlorophenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-1-methyl-3-[(4-methylphenyl)carbamoylamino]pyrrole-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]-1H-pyrrole-2-carboxylate;propane

bis(N'-(5-tert-butyl-2-methoxycarbonylthiophen-3-yl)-N-(1H-pyrrol-3-yl)carbamimidate);1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(4-methylthiophen-2-yl)urea;methyl 5-tert-butyl-3-[(3,4-dichlorophenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-1-methyl-3-[(4-methylphenyl)carbamoylamino]pyrrole-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]-1H-pyrrole-2-carboxylate;propane (PubChem CID 159552204) has the molecular formula C157H207Cl2N25O29S6-2 and a molecular weight of 3171.84 g/mol. Its IUPAC name is bis(N'-(5-tert-butyl-2-methoxycarbonylthiophen-3-yl)-N-(1H-pyrrol-3-yl)carbamimidate);1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(4-methylthiophen-2-yl)urea;methyl 5-tert-butyl-3-[(3,4-dichlorophenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-1-methyl-3-[(4-methylphenyl)carbamoylamino]pyrrole-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]-1H-pyrrole-2-carboxylate;propane.

Molecular Properties

• Compound Name: bis(N'-(5-tert-butyl-2-methoxycarbonylthiophen-3-yl)-N-(1H-pyrrol-3-yl)carbamimidate);1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(4-methylthiophen-2-yl)urea;methyl 5-tert-butyl-3-[(3,4-dichlorophenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-1-methyl-3-[(4-methylphenyl)carbamoylamino]pyrrole-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]-1H-pyrrole-2-carboxylate;propane
• PubChem CID: 159552204
• Molecular Formula: C157H207Cl2N25O29S6-2
• Molecular Weight: 3171.84 g/mol
• Exact Mass: 3168.32
• IUPAC Name: bis(N'-(5-tert-butyl-2-methoxycarbonylthiophen-3-yl)-N-(1H-pyrrol-3-yl)carbamimidate);1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(4-methylthiophen-2-yl)urea;methyl 5-tert-butyl-3-[(3,4-dichlorophenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-1-methyl-3-[(4-methylphenyl)carbamoylamino]pyrrole-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]-1H-pyrrole-2-carboxylate;propane
• SMILES: CCC.CCC.CCn1ccc(NC(=O)Nc2cc(C(C)(C)C)sc2C(=O)OC)c1.CCn1ccc(NC(=O)Nc2cc(C(C)(C)C)sc2C(=O)OC)n1.COC(=O)c1[nH]c(C(C)(C)C)cc1NC(=O)Nc1ccc(C)cc1.COC(=O)c1c(NC(=O)Nc2ccc(C)cc2)cc(C(C)(C)C)n1C.COC(=O)c1oc(C(C)(C)C)cc1NC(=O)Nc1ccc(C)cc1.COC(=O)c1oc(C(C)(C)C)cc1NC(=O)Nc1ccc(Cl)c(Cl)c1.COC(=O)c1sc(C(C)(C)C)cc1/N=C(\[O-])Nc1cc[nH]c1.COC(=O)c1sc(C(C)(C)C)cc1/N=C(\[O-])Nc1cc[nH]c1.COOCc1sc(C(C)(C)C)cc1NC(=O)Nc1cc(C)cs1
• InChI: InChI=1S/C19H25N3O3.C18H23N3O3.C18H22N2O4.C17H18Cl2N2O4.C17H23N3O3S.C16H22N4O3S.C16H22N2O3S2.2C15H19N3O3S.2C3H8/c1-12-7-9-13(10-8-12)20-18(24)21-14-11-15(19(2,3)4)22(5)16(14)17(23)25-6;1-11-6-8-12(9-7-11)19-17(23)20-13-10-14(18(2,3)4)21-15(13)16(22)24-5;1-11-6-8-12(9-7-11)19-17(22)20-13-10-14(18(2,3)4)24-15(13)16(21)23-5;1-17(2,3)13-8-12(14(25-13)15(22)24-4)21-16(23)20-9-5-6-10(18)11(19)7-9;1-6-20-8-7-11(10-20)18-16(22)19-12-9-13(17(2,3)4)24-14(12)15(21)23-5;1-6-20-8-7-12(19-20)18-15(22)17-10-9-11(16(2,3)4)24-13(10)14(21)23-5;1-10-6-14(22-9-10)18-15(19)17-11-7-13(16(2,3)4)23-12(11)8-21-20-5;2*1-15(2,3)11-7-10(12(22-11)13(19)21-4)18-14(20)17-9-5-6-16-8-9;2*1-3-2/h7-11H,1-6H3,(H2,20,21,24);6-10,21H,1-5H3,(H2,19,20,23);6-10H,1-5H3,(H2,19,20,22);5-8H,1-4H3,(H2,20,21,23);7-10H,6H2,1-5H3,(H2,18,19,22);7-9H,6H2,1-5H3,(H2,17,18,19,22);6-7,9H,8H2,1-5H3,(H2,17,18,19);2*5-8,16H,1-4H3,(H2,17,18,20);2*3H2,1-2H3/p-2
• InChIKey: WUWJWJIKMWLQAY-UHFFFAOYSA-L
• XLogP: 38.94
• TPSA: 713.00 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 41
• Rotatable Bonds: 31
• Heavy Atoms: 219
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3171.84
LogP ≤ 5	38.94
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(N'-(5-tert-butyl-2-methoxycarbonylthiophen-3-yl)-N-(1H-pyrrol-3-yl)carbamimidate);1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(4-methylthiophen-2-yl)urea;methyl 5-tert-butyl-3-[(3,4-dichlorophenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-1-methyl-3-[(4-methylphenyl)carbamoylamino]pyrrole-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]-1H-pyrrole-2-carboxylate;propane?

The IUPAC name of bis(N'-(5-tert-butyl-2-methoxycarbonylthiophen-3-yl)-N-(1H-pyrrol-3-yl)carbamimidate);1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(4-methylthiophen-2-yl)urea;methyl 5-tert-butyl-3-[(3,4-dichlorophenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-1-methyl-3-[(4-methylphenyl)carbamoylamino]pyrrole-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]-1H-pyrrole-2-carboxylate;propane (CID 159552204) is bis(N'-(5-tert-butyl-2-methoxycarbonylthiophen-3-yl)-N-(1H-pyrrol-3-yl)carbamimidate);1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(4-methylthiophen-2-yl)urea;methyl 5-tert-butyl-3-[(3,4-dichlorophenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-1-methyl-3-[(4-methylphenyl)carbamoylamino]pyrrole-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]-1H-pyrrole-2-carboxylate;propane.

What is the SMILES notation for bis(N'-(5-tert-butyl-2-methoxycarbonylthiophen-3-yl)-N-(1H-pyrrol-3-yl)carbamimidate);1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(4-methylthiophen-2-yl)urea;methyl 5-tert-butyl-3-[(3,4-dichlorophenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-1-methyl-3-[(4-methylphenyl)carbamoylamino]pyrrole-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]-1H-pyrrole-2-carboxylate;propane?

The canonical SMILES for bis(N'-(5-tert-butyl-2-methoxycarbonylthiophen-3-yl)-N-(1H-pyrrol-3-yl)carbamimidate);1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(4-methylthiophen-2-yl)urea;methyl 5-tert-butyl-3-[(3,4-dichlorophenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-1-methyl-3-[(4-methylphenyl)carbamoylamino]pyrrole-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]-1H-pyrrole-2-carboxylate;propane is CCC.CCC.CCn1ccc(NC(=O)Nc2cc(C(C)(C)C)sc2C(=O)OC)c1.CCn1ccc(NC(=O)Nc2cc(C(C)(C)C)sc2C(=O)OC)n1.COC(=O)c1[nH]c(C(C)(C)C)cc1NC(=O)Nc1ccc(C)cc1.COC(=O)c1c(NC(=O)Nc2ccc(C)cc2)cc(C(C)(C)C)n1C.COC(=O)c1oc(C(C)(C)C)cc1NC(=O)Nc1ccc(C)cc1.COC(=O)c1oc(C(C)(C)C)cc1NC(=O)Nc1ccc(Cl)c(Cl)c1.COC(=O)c1sc(C(C)(C)C)cc1/N=C(\[O-])Nc1cc[nH]c1.COC(=O)c1sc(C(C)(C)C)cc1/N=C(\[O-])Nc1cc[nH]c1.COOCc1sc(C(C)(C)C)cc1NC(=O)Nc1cc(C)cs1.

What is the InChIKey of bis(N'-(5-tert-butyl-2-methoxycarbonylthiophen-3-yl)-N-(1H-pyrrol-3-yl)carbamimidate);1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(4-methylthiophen-2-yl)urea;methyl 5-tert-butyl-3-[(3,4-dichlorophenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-1-methyl-3-[(4-methylphenyl)carbamoylamino]pyrrole-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]-1H-pyrrole-2-carboxylate;propane?

The InChIKey is WUWJWJIKMWLQAY-UHFFFAOYSA-L. The full InChI is InChI=1S/C19H25N3O3.C18H23N3O3.C18H22N2O4.C17H18Cl2N2O4.C17H23N3O3S.C16H22N4O3S.C16H22N2O3S2.2C15H19N3O3S.2C3H8/c1-12-7-9-13(10-8-12)20-18(24)21-14-11-15(19(2,3)4)22(5)16(14)17(23)25-6;1-11-6-8-12(9-7-11)19-17(23)20-13-10-14(18(2,3)4)21-15(13)16(22)24-5;1-11-6-8-12(9-7-11)19-17(22)20-13-10-14(18(2,3)4)24-15(13)16(21)23-5;1-17(2,3)13-8-12(14(25-13)15(22)24-4)21-16(23)20-9-5-6-10(18)11(19)7-9;1-6-20-8-7-11(10-20)18-16(22)19-12-9-13(17(2,3)4)24-14(12)15(21)23-5;1-6-20-8-7-12(19-20)18-15(22)17-10-9-11(16(2,3)4)24-13(10)14(21)23-5;1-10-6-14(22-9-10)18-15(19)17-11-7-13(16(2,3)4)23-12(11)8-21-20-5;2*1-15(2,3)11-7-10(12(22-11)13(19)21-4)18-14(20)17-9-5-6-16-8-9;2*1-3-2/h7-11H,1-6H3,(H2,20,21,24);6-10,21H,1-5H3,(H2,19,20,23);6-10H,1-5H3,(H2,19,20,22);5-8H,1-4H3,(H2,20,21,23);7-10H,6H2,1-5H3,(H2,18,19,22);7-9H,6H2,1-5H3,(H2,17,18,19,22);6-7,9H,8H2,1-5H3,(H2,17,18,19);2*5-8,16H,1-4H3,(H2,17,18,20);2*3H2,1-2H3/p-2.

What are the key properties of bis(N'-(5-tert-butyl-2-methoxycarbonylthiophen-3-yl)-N-(1H-pyrrol-3-yl)carbamimidate);1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(4-methylthiophen-2-yl)urea;methyl 5-tert-butyl-3-[(3,4-dichlorophenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-1-methyl-3-[(4-methylphenyl)carbamoylamino]pyrrole-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]-1H-pyrrole-2-carboxylate;propane?

bis(N'-(5-tert-butyl-2-methoxycarbonylthiophen-3-yl)-N-(1H-pyrrol-3-yl)carbamimidate);1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(4-methylthiophen-2-yl)urea;methyl 5-tert-butyl-3-[(3,4-dichlorophenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-1-methyl-3-[(4-methylphenyl)carbamoylamino]pyrrole-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]-1H-pyrrole-2-carboxylate;propane has a molecular weight of 3171.84 g/mol, XLogP of 38.94, 31 rotatable bonds, 19 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for bis(N'-(5-tert-butyl-2-methoxycarbonylthiophen-3-yl)-N-(1H-pyrrol-3-yl)carbamimidate);1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(4-methylthiophen-2-yl)urea;methyl 5-tert-butyl-3-[(3,4-dichlorophenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-1-methyl-3-[(4-methylphenyl)carbamoylamino]pyrrole-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]-1H-pyrrole-2-carboxylate;propane is sourced from PubChem (CID 159552204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).