N-benzyl-2-[cyclohexyl-[(3-ethylphenyl)carbamoyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide

C30H37N3O2S — CID 5197507

About N-benzyl-2-[cyclohexyl-[(3-ethylphenyl)carbamoyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide

N-benzyl-2-[cyclohexyl-[(3-ethylphenyl)carbamoyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide (PubChem CID 5197507) has the molecular formula C30H37N3O2S and a molecular weight of 503.71 g/mol. Its IUPAC name is N-benzyl-2-[cyclohexyl-[(3-ethylphenyl)carbamoyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: N-benzyl-2-[cyclohexyl-[(3-ethylphenyl)carbamoyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
• PubChem CID: 5197507
• Molecular Formula: C30H37N3O2S
• Molecular Weight: 503.71 g/mol
• Exact Mass: 503.26
• IUPAC Name: N-benzyl-2-[cyclohexyl-[(3-ethylphenyl)carbamoyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
• SMILES: CCc1cccc(NC(=O)N(CC(=O)N(Cc2ccccc2)Cc2sccc2C)C2CCCCC2)c1
• InChI: InChI=1S/C30H37N3O2S/c1-3-24-13-10-14-26(19-24)31-30(35)33(27-15-8-5-9-16-27)22-29(34)32(20-25-11-6-4-7-12-25)21-28-23(2)17-18-36-28/h4,6-7,10-14,17-19,27H,3,5,8-9,15-16,20-22H2,1-2H3,(H,31,35)
• InChIKey: IPSIPAIDHGPOSZ-UHFFFAOYSA-N
• XLogP: 7.01
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.71
LogP ≤ 5	7.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[cyclohexyl-[(3-ethylphenyl)carbamoyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide?

The IUPAC name of N-benzyl-2-[cyclohexyl-[(3-ethylphenyl)carbamoyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide (CID 5197507) is N-benzyl-2-[cyclohexyl-[(3-ethylphenyl)carbamoyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide.

What is the SMILES notation for N-benzyl-2-[cyclohexyl-[(3-ethylphenyl)carbamoyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide?

The canonical SMILES for N-benzyl-2-[cyclohexyl-[(3-ethylphenyl)carbamoyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide is CCc1cccc(NC(=O)N(CC(=O)N(Cc2ccccc2)Cc2sccc2C)C2CCCCC2)c1.

What is the InChIKey of N-benzyl-2-[cyclohexyl-[(3-ethylphenyl)carbamoyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide?

The InChIKey is IPSIPAIDHGPOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O2S/c1-3-24-13-10-14-26(19-24)31-30(35)33(27-15-8-5-9-16-27)22-29(34)32(20-25-11-6-4-7-12-25)21-28-23(2)17-18-36-28/h4,6-7,10-14,17-19,27H,3,5,8-9,15-16,20-22H2,1-2H3,(H,31,35).

What are the key properties of N-benzyl-2-[cyclohexyl-[(3-ethylphenyl)carbamoyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide?

N-benzyl-2-[cyclohexyl-[(3-ethylphenyl)carbamoyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide has a molecular weight of 503.71 g/mol, XLogP of 7.01, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-[cyclohexyl-[(3-ethylphenyl)carbamoyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 5197507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).