N-[2-[[4-(5-chlorothiophen-2-yl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-propan-2-yl-3-(2H-tetrazol-5-yl)propanamide

C30H31ClN8O4S — CID 69412427

About N-[2-[[4-(5-chlorothiophen-2-yl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-propan-2-yl-3-(2H-tetrazol-5-yl)propanamide

N-[2-[[4-(5-chlorothiophen-2-yl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-propan-2-yl-3-(2H-tetrazol-5-yl)propanamide (PubChem CID 69412427) has the molecular formula C30H31ClN8O4S and a molecular weight of 635.15 g/mol. Its IUPAC name is N-[2-[[4-(5-chlorothiophen-2-yl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-propan-2-yl-3-(2H-tetrazol-5-yl)propanamide.

Molecular Properties

• Compound Name: N-[2-[[4-(5-chlorothiophen-2-yl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-propan-2-yl-3-(2H-tetrazol-5-yl)propanamide
• PubChem CID: 69412427
• Molecular Formula: C30H31ClN8O4S
• Molecular Weight: 635.15 g/mol
• Exact Mass: 634.19
• IUPAC Name: N-[2-[[4-(5-chlorothiophen-2-yl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-propan-2-yl-3-(2H-tetrazol-5-yl)propanamide
• SMILES: COc1ccc(C(Cc2nn[nH]n2)C(=O)N(CC(=O)Nc2nc(-c3ccc(Cl)s3)cn2-c2ccccc2)C(C)C)cc1OC
• InChI: InChI=1S/C30H31ClN8O4S/c1-18(2)38(29(41)21(15-27-34-36-37-35-27)19-10-11-23(42-3)24(14-19)43-4)17-28(40)33-30-32-22(25-12-13-26(31)44-25)16-39(30)20-8-6-5-7-9-20/h5-14,16,18,21H,15,17H2,1-4H3,(H,32,33,40)(H,34,35,36,37)
• InChIKey: GWNIYRQACUHGSG-UHFFFAOYSA-N
• XLogP: 4.99
• TPSA: 140.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	635.15
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(5-chlorothiophen-2-yl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-propan-2-yl-3-(2H-tetrazol-5-yl)propanamide?

The IUPAC name of N-[2-[[4-(5-chlorothiophen-2-yl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-propan-2-yl-3-(2H-tetrazol-5-yl)propanamide (CID 69412427) is N-[2-[[4-(5-chlorothiophen-2-yl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-propan-2-yl-3-(2H-tetrazol-5-yl)propanamide.

What is the SMILES notation for N-[2-[[4-(5-chlorothiophen-2-yl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-propan-2-yl-3-(2H-tetrazol-5-yl)propanamide?

The canonical SMILES for N-[2-[[4-(5-chlorothiophen-2-yl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-propan-2-yl-3-(2H-tetrazol-5-yl)propanamide is COc1ccc(C(Cc2nn[nH]n2)C(=O)N(CC(=O)Nc2nc(-c3ccc(Cl)s3)cn2-c2ccccc2)C(C)C)cc1OC.

What is the InChIKey of N-[2-[[4-(5-chlorothiophen-2-yl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-propan-2-yl-3-(2H-tetrazol-5-yl)propanamide?

The InChIKey is GWNIYRQACUHGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31ClN8O4S/c1-18(2)38(29(41)21(15-27-34-36-37-35-27)19-10-11-23(42-3)24(14-19)43-4)17-28(40)33-30-32-22(25-12-13-26(31)44-25)16-39(30)20-8-6-5-7-9-20/h5-14,16,18,21H,15,17H2,1-4H3,(H,32,33,40)(H,34,35,36,37).

What are the key properties of N-[2-[[4-(5-chlorothiophen-2-yl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-propan-2-yl-3-(2H-tetrazol-5-yl)propanamide?

N-[2-[[4-(5-chlorothiophen-2-yl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-propan-2-yl-3-(2H-tetrazol-5-yl)propanamide has a molecular weight of 635.15 g/mol, XLogP of 4.99, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[4-(5-chlorothiophen-2-yl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-propan-2-yl-3-(2H-tetrazol-5-yl)propanamide is sourced from PubChem (CID 69412427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).