N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide

C19H18N2O2S3 — CID 55810921

About N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide

N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide (PubChem CID 55810921) has the molecular formula C19H18N2O2S3 and a molecular weight of 402.57 g/mol. Its IUPAC name is N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide.

Molecular Properties

• Compound Name: N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
• PubChem CID: 55810921
• Molecular Formula: C19H18N2O2S3
• Molecular Weight: 402.57 g/mol
• Exact Mass: 402.05
• IUPAC Name: N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
• SMILES: Cc1csc(Sc2ccc(NC(=O)CCC(=O)c3ccc(C)s3)cc2)n1
• InChI: InChI=1S/C19H18N2O2S3/c1-12-11-24-19(20-12)26-15-6-4-14(5-7-15)21-18(23)10-8-16(22)17-9-3-13(2)25-17/h3-7,9,11H,8,10H2,1-2H3,(H,21,23)
• InChIKey: OWYMYJCPCPZRGR-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 59.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	402.57
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide?

The IUPAC name of N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide (CID 55810921) is N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide.

What is the SMILES notation for N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide?

The canonical SMILES for N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide is Cc1csc(Sc2ccc(NC(=O)CCC(=O)c3ccc(C)s3)cc2)n1.

What is the InChIKey of N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide?

The InChIKey is OWYMYJCPCPZRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S3/c1-12-11-24-19(20-12)26-15-6-4-14(5-7-15)21-18(23)10-8-16(22)17-9-3-13(2)25-17/h3-7,9,11H,8,10H2,1-2H3,(H,21,23).

What are the key properties of N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide?

N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide has a molecular weight of 402.57 g/mol, XLogP of 5.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide is sourced from PubChem (CID 55810921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).