N-[(2R)-1-(furan-2-yl)propan-2-yl]-4-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide

C21H25N3O4S3 — CID 95092654

About N-[(2R)-1-(furan-2-yl)propan-2-yl]-4-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide

N-[(2R)-1-(furan-2-yl)propan-2-yl]-4-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide (PubChem CID 95092654) has the molecular formula C21H25N3O4S3 and a molecular weight of 479.65 g/mol. Its IUPAC name is N-[(2R)-1-(furan-2-yl)propan-2-yl]-4-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide.

Molecular Properties

• Compound Name: N-[(2R)-1-(furan-2-yl)propan-2-yl]-4-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide
• PubChem CID: 95092654
• Molecular Formula: C21H25N3O4S3
• Molecular Weight: 479.65 g/mol
• Exact Mass: 479.10
• IUPAC Name: N-[(2R)-1-(furan-2-yl)propan-2-yl]-4-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide
• SMILES: Cc1nc(-c2csc(S(=O)(=O)N[C@H](C)Cc3ccco3)c2)sc1C(=O)N1CCCCC1
• InChI: InChI=1S/C21H25N3O4S3/c1-14(11-17-7-6-10-28-17)23-31(26,27)18-12-16(13-29-18)20-22-15(2)19(30-20)21(25)24-8-4-3-5-9-24/h6-7,10,12-14,23H,3-5,8-9,11H2,1-2H3/t14-/m1/s1
• InChIKey: QBWINWVYEAFOSJ-CQSZACIVSA-N
• XLogP: 4.31
• TPSA: 92.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.65
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(furan-2-yl)propan-2-yl]-4-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide?

The IUPAC name of N-[(2R)-1-(furan-2-yl)propan-2-yl]-4-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide (CID 95092654) is N-[(2R)-1-(furan-2-yl)propan-2-yl]-4-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide.

What is the SMILES notation for N-[(2R)-1-(furan-2-yl)propan-2-yl]-4-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide?

The canonical SMILES for N-[(2R)-1-(furan-2-yl)propan-2-yl]-4-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide is Cc1nc(-c2csc(S(=O)(=O)N[C@H](C)Cc3ccco3)c2)sc1C(=O)N1CCCCC1.

What is the InChIKey of N-[(2R)-1-(furan-2-yl)propan-2-yl]-4-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide?

The InChIKey is QBWINWVYEAFOSJ-CQSZACIVSA-N. The full InChI is InChI=1S/C21H25N3O4S3/c1-14(11-17-7-6-10-28-17)23-31(26,27)18-12-16(13-29-18)20-22-15(2)19(30-20)21(25)24-8-4-3-5-9-24/h6-7,10,12-14,23H,3-5,8-9,11H2,1-2H3/t14-/m1/s1.

What are the key properties of N-[(2R)-1-(furan-2-yl)propan-2-yl]-4-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide?

N-[(2R)-1-(furan-2-yl)propan-2-yl]-4-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide has a molecular weight of 479.65 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-(furan-2-yl)propan-2-yl]-4-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 95092654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).