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-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;methyl 5-tert-butyl-3-[(1-propan-2-ylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate

C124H160Cl2N20O23S3 — CID 162125626

About 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-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;methyl 5-tert-butyl-3-[(1-propan-2-ylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate

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-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;methyl 5-tert-butyl-3-[(1-propan-2-ylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate (PubChem CID 162125626) has the molecular formula C124H160Cl2N20O23S3 and a molecular weight of 2465.87 g/mol. Its IUPAC name is 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-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;methyl 5-tert-butyl-3-[(1-propan-2-ylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate.

Molecular Properties

• Compound Name: 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-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;methyl 5-tert-butyl-3-[(1-propan-2-ylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate
• PubChem CID: 162125626
• Molecular Formula: C124H160Cl2N20O23S3
• Molecular Weight: 2465.87 g/mol
• Exact Mass: 2463.05
• IUPAC Name: 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-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;methyl 5-tert-butyl-3-[(1-propan-2-ylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate
• SMILES: CCCn1ccc(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)cc1NC(=O)Nc1ccn(C(C)C)c1
• InChI: InChI=1S/C19H25N3O3.2C18H25N3O3S.C18H23N3O3.C18H22N2O4.C17H18Cl2N2O4.C16H22N4O3S/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(2)21-8-7-12(10-21)19-17(23)20-13-9-14(18(3,4)5)25-15(13)16(22)24-6;1-6-8-21-9-7-12(11-21)19-17(23)20-13-10-14(18(2,3)4)25-15(13)16(22)24-5;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;1-6-20-8-7-12(19-20)18-15(22)17-10-9-11(16(2,3)4)24-13(10)14(21)23-5/h7-11H,1-6H3,(H2,20,21,24);7-11H,1-6H3,(H2,19,20,23);7,9-11H,6,8H2,1-5H3,(H2,19,20,23);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);7-9H,6H2,1-5H3,(H2,17,18,19,22)
• InChIKey: ZHZDRQCFXRNZOL-UHFFFAOYSA-N
• XLogP: 30.98
• TPSA: 546.69 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 31
• Rotatable Bonds: 25
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2465.87
LogP ≤ 5	30.98
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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-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;methyl 5-tert-butyl-3-[(1-propan-2-ylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate?

The IUPAC name of 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-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;methyl 5-tert-butyl-3-[(1-propan-2-ylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate (CID 162125626) is 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-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;methyl 5-tert-butyl-3-[(1-propan-2-ylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate.

What is the SMILES notation for 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-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;methyl 5-tert-butyl-3-[(1-propan-2-ylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate?

The canonical SMILES for 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-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;methyl 5-tert-butyl-3-[(1-propan-2-ylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate is CCCn1ccc(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)cc1NC(=O)Nc1ccn(C(C)C)c1.

What is the InChIKey of 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-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;methyl 5-tert-butyl-3-[(1-propan-2-ylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate?

The InChIKey is ZHZDRQCFXRNZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3.2C18H25N3O3S.C18H23N3O3.C18H22N2O4.C17H18Cl2N2O4.C16H22N4O3S/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(2)21-8-7-12(10-21)19-17(23)20-13-9-14(18(3,4)5)25-15(13)16(22)24-6;1-6-8-21-9-7-12(11-21)19-17(23)20-13-10-14(18(2,3)4)25-15(13)16(22)24-5;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;1-6-20-8-7-12(19-20)18-15(22)17-10-9-11(16(2,3)4)24-13(10)14(21)23-5/h7-11H,1-6H3,(H2,20,21,24);7-11H,1-6H3,(H2,19,20,23);7,9-11H,6,8H2,1-5H3,(H2,19,20,23);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);7-9H,6H2,1-5H3,(H2,17,18,19,22).

What are the key properties of 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-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;methyl 5-tert-butyl-3-[(1-propan-2-ylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate?

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-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;methyl 5-tert-butyl-3-[(1-propan-2-ylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate has a molecular weight of 2465.87 g/mol, XLogP of 30.98, 25 rotatable bonds, 15 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 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-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;methyl 5-tert-butyl-3-[(1-propan-2-ylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate is sourced from PubChem (CID 162125626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).