N-(3-methylbutan-2-yl)-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]thiophene-2-carboxamide

C23H28N2OS — CID 4204018

About N-(3-methylbutan-2-yl)-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]thiophene-2-carboxamide

N-(3-methylbutan-2-yl)-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]thiophene-2-carboxamide (PubChem CID 4204018) has the molecular formula C23H28N2OS and a molecular weight of 380.56 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-(3-methylbutan-2-yl)-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]thiophene-2-carboxamide
• PubChem CID: 4204018
• Molecular Formula: C23H28N2OS
• Molecular Weight: 380.56 g/mol
• Exact Mass: 380.19
• IUPAC Name: N-(3-methylbutan-2-yl)-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]thiophene-2-carboxamide
• SMILES: Cc1cccc(Cn2cccc2CN(C(=O)c2cccs2)C(C)C(C)C)c1
• InChI: InChI=1S/C23H28N2OS/c1-17(2)19(4)25(23(26)22-11-7-13-27-22)16-21-10-6-12-24(21)15-20-9-5-8-18(3)14-20/h5-14,17,19H,15-16H2,1-4H3
• InChIKey: NLSYFOKBDJNFBC-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 25.24 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	380.56
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]thiophene-2-carboxamide?

The IUPAC name of N-(3-methylbutan-2-yl)-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]thiophene-2-carboxamide (CID 4204018) is N-(3-methylbutan-2-yl)-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]thiophene-2-carboxamide.

What is the SMILES notation for N-(3-methylbutan-2-yl)-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]thiophene-2-carboxamide?

The canonical SMILES for N-(3-methylbutan-2-yl)-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]thiophene-2-carboxamide is Cc1cccc(Cn2cccc2CN(C(=O)c2cccs2)C(C)C(C)C)c1.

What is the InChIKey of N-(3-methylbutan-2-yl)-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]thiophene-2-carboxamide?

The InChIKey is NLSYFOKBDJNFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2OS/c1-17(2)19(4)25(23(26)22-11-7-13-27-22)16-21-10-6-12-24(21)15-20-9-5-8-18(3)14-20/h5-14,17,19H,15-16H2,1-4H3.

What are the key properties of N-(3-methylbutan-2-yl)-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]thiophene-2-carboxamide?

N-(3-methylbutan-2-yl)-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]thiophene-2-carboxamide has a molecular weight of 380.56 g/mol, XLogP of 5.59, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-methylbutan-2-yl)-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 4204018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).