ethyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-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-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxylate;methyl 5-tert-butyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-2-(phenylcarbamoylamino)thiophene-3-carboxylate

C119H149N19O22S7 — CID 159907894

About ethyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-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-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxylate;methyl 5-tert-butyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-2-(phenylcarbamoylamino)thiophene-3-carboxylate

ethyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-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-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxylate;methyl 5-tert-butyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-2-(phenylcarbamoylamino)thiophene-3-carboxylate (PubChem CID 159907894) has the molecular formula C119H149N19O22S7 and a molecular weight of 2422.08 g/mol. Its IUPAC name is ethyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-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-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxylate;methyl 5-tert-butyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-2-(phenylcarbamoylamino)thiophene-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-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-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxylate;methyl 5-tert-butyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-2-(phenylcarbamoylamino)thiophene-3-carboxylate
• PubChem CID: 159907894
• Molecular Formula: C119H149N19O22S7
• Molecular Weight: 2422.08 g/mol
• Exact Mass: 2419.92
• IUPAC Name: ethyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-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-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxylate;methyl 5-tert-butyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-2-(phenylcarbamoylamino)thiophene-3-carboxylate
• SMILES: CCOC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(C)cc1.CCc1nnc(NC(=O)Nc2cc(C(C)(C)C)sc2C(=O)OC)s1.COC(=O)c1[nH]c(C(C)(C)C)cc1NC(=O)Nc1ccc(C)cc1.COC(=O)c1cc(C(C)(C)C)sc1NC(=O)Nc1ccc(C)cc1.COC(=O)c1cc(C(C)(C)C)sc1NC(=O)Nc1ccccc1.COC(=O)c1oc(C(C)(C)C)cc1NC(=O)Nc1ccc(C)cc1.COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1nnc(C)s1
• InChI: InChI=1S/C19H24N2O3S.C18H23N3O3.C18H22N2O4.C18H22N2O3S.C17H20N2O3S.C15H20N4O3S2.C14H18N4O3S2/c1-6-24-17(22)16-14(11-15(25-16)19(3,4)5)21-18(23)20-13-9-7-12(2)8-10-13;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;1-11-6-8-12(9-7-11)19-17(22)20-15-13(16(21)23-5)10-14(24-15)18(2,3)4;1-17(2,3)13-10-12(15(20)22-4)14(23-13)19-16(21)18-11-8-6-5-7-9-11;1-6-10-18-19-14(24-10)17-13(21)16-8-7-9(15(2,3)4)23-11(8)12(20)22-5;1-7-17-18-13(22-7)16-12(20)15-8-6-9(14(2,3)4)23-10(8)11(19)21-5/h7-11H,6H2,1-5H3,(H2,20,21,23);6-10,21H,1-5H3,(H2,19,20,23);2*6-10H,1-5H3,(H2,19,20,22);5-10H,1-4H3,(H2,18,19,21);7H,6H2,1-5H3,(H2,16,17,19,21);6H,1-5H3,(H2,15,16,18,20)
• InChIKey: NWUPCHQXVFYVSO-UHFFFAOYSA-N
• XLogP: 30.33
• TPSA: 552.50 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 33
• Rotatable Bonds: 23
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2422.08
LogP ≤ 5	30.33
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-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-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxylate;methyl 5-tert-butyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-2-(phenylcarbamoylamino)thiophene-3-carboxylate?

The IUPAC name of ethyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-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-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxylate;methyl 5-tert-butyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-2-(phenylcarbamoylamino)thiophene-3-carboxylate (CID 159907894) is ethyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-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-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxylate;methyl 5-tert-butyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-2-(phenylcarbamoylamino)thiophene-3-carboxylate.

What is the SMILES notation for ethyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-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-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxylate;methyl 5-tert-butyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-2-(phenylcarbamoylamino)thiophene-3-carboxylate?

The canonical SMILES for ethyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-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-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxylate;methyl 5-tert-butyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-2-(phenylcarbamoylamino)thiophene-3-carboxylate is CCOC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(C)cc1.CCc1nnc(NC(=O)Nc2cc(C(C)(C)C)sc2C(=O)OC)s1.COC(=O)c1[nH]c(C(C)(C)C)cc1NC(=O)Nc1ccc(C)cc1.COC(=O)c1cc(C(C)(C)C)sc1NC(=O)Nc1ccc(C)cc1.COC(=O)c1cc(C(C)(C)C)sc1NC(=O)Nc1ccccc1.COC(=O)c1oc(C(C)(C)C)cc1NC(=O)Nc1ccc(C)cc1.COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1nnc(C)s1.

What is the InChIKey of ethyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-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-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxylate;methyl 5-tert-butyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-2-(phenylcarbamoylamino)thiophene-3-carboxylate?

The InChIKey is NWUPCHQXVFYVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S.C18H23N3O3.C18H22N2O4.C18H22N2O3S.C17H20N2O3S.C15H20N4O3S2.C14H18N4O3S2/c1-6-24-17(22)16-14(11-15(25-16)19(3,4)5)21-18(23)20-13-9-7-12(2)8-10-13;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;1-11-6-8-12(9-7-11)19-17(22)20-15-13(16(21)23-5)10-14(24-15)18(2,3)4;1-17(2,3)13-10-12(15(20)22-4)14(23-13)19-16(21)18-11-8-6-5-7-9-11;1-6-10-18-19-14(24-10)17-13(21)16-8-7-9(15(2,3)4)23-11(8)12(20)22-5;1-7-17-18-13(22-7)16-12(20)15-8-6-9(14(2,3)4)23-10(8)11(19)21-5/h7-11H,6H2,1-5H3,(H2,20,21,23);6-10,21H,1-5H3,(H2,19,20,23);2*6-10H,1-5H3,(H2,19,20,22);5-10H,1-4H3,(H2,18,19,21);7H,6H2,1-5H3,(H2,16,17,19,21);6H,1-5H3,(H2,15,16,18,20).

What are the key properties of ethyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-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-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxylate;methyl 5-tert-butyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-2-(phenylcarbamoylamino)thiophene-3-carboxylate?

ethyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-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-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxylate;methyl 5-tert-butyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-2-(phenylcarbamoylamino)thiophene-3-carboxylate has a molecular weight of 2422.08 g/mol, XLogP of 30.33, 23 rotatable bonds, 15 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-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-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxylate;methyl 5-tert-butyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-2-(phenylcarbamoylamino)thiophene-3-carboxylate is sourced from PubChem (CID 159907894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).