N-[(2R)-3-methyl-1-oxo-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-2-yl]naphthalene-2-sulfonamide

C24H27N3O4S2 — CID 41273552

About N-[(2R)-3-methyl-1-oxo-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-2-yl]naphthalene-2-sulfonamide

N-[(2R)-3-methyl-1-oxo-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-2-yl]naphthalene-2-sulfonamide (PubChem CID 41273552) has the molecular formula C24H27N3O4S2 and a molecular weight of 485.63 g/mol. Its IUPAC name is N-[(2R)-3-methyl-1-oxo-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-2-yl]naphthalene-2-sulfonamide.

Molecular Properties

• Compound Name: N-[(2R)-3-methyl-1-oxo-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-2-yl]naphthalene-2-sulfonamide
• PubChem CID: 41273552
• Molecular Formula: C24H27N3O4S2
• Molecular Weight: 485.63 g/mol
• Exact Mass: 485.14
• IUPAC Name: N-[(2R)-3-methyl-1-oxo-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-2-yl]naphthalene-2-sulfonamide
• SMILES: CC(C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCN(C(=O)c2cccs2)CC1
• InChI: InChI=1S/C24H27N3O4S2/c1-17(2)22(25-33(30,31)20-10-9-18-6-3-4-7-19(18)16-20)24(29)27-13-11-26(12-14-27)23(28)21-8-5-15-32-21/h3-10,15-17,22,25H,11-14H2,1-2H3/t22-/m1/s1
• InChIKey: XMBZPHHYDUNQME-JOCHJYFZSA-N
• XLogP: 3.19
• TPSA: 86.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.63
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methyl-1-oxo-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-2-yl]naphthalene-2-sulfonamide?

The IUPAC name of N-[(2R)-3-methyl-1-oxo-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-2-yl]naphthalene-2-sulfonamide (CID 41273552) is N-[(2R)-3-methyl-1-oxo-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-2-yl]naphthalene-2-sulfonamide.

What is the SMILES notation for N-[(2R)-3-methyl-1-oxo-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-2-yl]naphthalene-2-sulfonamide?

The canonical SMILES for N-[(2R)-3-methyl-1-oxo-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-2-yl]naphthalene-2-sulfonamide is CC(C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCN(C(=O)c2cccs2)CC1.

What is the InChIKey of N-[(2R)-3-methyl-1-oxo-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-2-yl]naphthalene-2-sulfonamide?

The InChIKey is XMBZPHHYDUNQME-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H27N3O4S2/c1-17(2)22(25-33(30,31)20-10-9-18-6-3-4-7-19(18)16-20)24(29)27-13-11-26(12-14-27)23(28)21-8-5-15-32-21/h3-10,15-17,22,25H,11-14H2,1-2H3/t22-/m1/s1.

What are the key properties of N-[(2R)-3-methyl-1-oxo-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-2-yl]naphthalene-2-sulfonamide?

N-[(2R)-3-methyl-1-oxo-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-2-yl]naphthalene-2-sulfonamide has a molecular weight of 485.63 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-3-methyl-1-oxo-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-2-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 41273552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).