N-[2-[4-[(4-chlorophenyl)sulfonylmethyl]phenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide

C28H21ClN2O4S2 — CID 155943136

About N-[2-[4-[(4-chlorophenyl)sulfonylmethyl]phenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide

N-[2-[4-[(4-chlorophenyl)sulfonylmethyl]phenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide (PubChem CID 155943136) has the molecular formula C28H21ClN2O4S2 and a molecular weight of 549.07 g/mol. Its IUPAC name is N-[2-[4-[(4-chlorophenyl)sulfonylmethyl]phenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-[(4-chlorophenyl)sulfonylmethyl]phenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
• PubChem CID: 155943136
• Molecular Formula: C28H21ClN2O4S2
• Molecular Weight: 549.07 g/mol
• Exact Mass: 548.06
• IUPAC Name: N-[2-[4-[(4-chlorophenyl)sulfonylmethyl]phenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
• SMILES: Cc1ccc(-c2nc(-c3ccc(CS(=O)(=O)c4ccc(Cl)cc4)cc3)sc2NC(=O)c2ccco2)cc1
• InChI: InChI=1S/C28H21ClN2O4S2/c1-18-4-8-20(9-5-18)25-28(31-26(32)24-3-2-16-35-24)36-27(30-25)21-10-6-19(7-11-21)17-37(33,34)23-14-12-22(29)13-15-23/h2-16H,17H2,1H3,(H,31,32)
• InChIKey: HVPDPYASQNFJPR-UHFFFAOYSA-N
• XLogP: 7.26
• TPSA: 89.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	549.07
LogP ≤ 5	7.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(4-chlorophenyl)sulfonylmethyl]phenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide?

The IUPAC name of N-[2-[4-[(4-chlorophenyl)sulfonylmethyl]phenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide (CID 155943136) is N-[2-[4-[(4-chlorophenyl)sulfonylmethyl]phenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide.

What is the SMILES notation for N-[2-[4-[(4-chlorophenyl)sulfonylmethyl]phenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide?

The canonical SMILES for N-[2-[4-[(4-chlorophenyl)sulfonylmethyl]phenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide is Cc1ccc(-c2nc(-c3ccc(CS(=O)(=O)c4ccc(Cl)cc4)cc3)sc2NC(=O)c2ccco2)cc1.

What is the InChIKey of N-[2-[4-[(4-chlorophenyl)sulfonylmethyl]phenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide?

The InChIKey is HVPDPYASQNFJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21ClN2O4S2/c1-18-4-8-20(9-5-18)25-28(31-26(32)24-3-2-16-35-24)36-27(30-25)21-10-6-19(7-11-21)17-37(33,34)23-14-12-22(29)13-15-23/h2-16H,17H2,1H3,(H,31,32).

What are the key properties of N-[2-[4-[(4-chlorophenyl)sulfonylmethyl]phenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide?

N-[2-[4-[(4-chlorophenyl)sulfonylmethyl]phenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide has a molecular weight of 549.07 g/mol, XLogP of 7.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[(4-chlorophenyl)sulfonylmethyl]phenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 155943136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).