N-cyclopropyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]naphthalene-2-sulfonamide

C28H26N2O3S2 — CID 3388408

About N-cyclopropyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]naphthalene-2-sulfonamide

N-cyclopropyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]naphthalene-2-sulfonamide (PubChem CID 3388408) has the molecular formula C28H26N2O3S2 and a molecular weight of 502.66 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]naphthalene-2-sulfonamide.

Molecular Properties

• Compound Name: N-cyclopropyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]naphthalene-2-sulfonamide
• PubChem CID: 3388408
• Molecular Formula: C28H26N2O3S2
• Molecular Weight: 502.66 g/mol
• Exact Mass: 502.14
• IUPAC Name: N-cyclopropyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]naphthalene-2-sulfonamide
• SMILES: O=C(CN(C1CC1)S(=O)(=O)c1ccc2ccccc2c1)N1CCc2sccc2C1c1ccccc1
• InChI: InChI=1S/C28H26N2O3S2/c31-27(29-16-14-26-25(15-17-34-26)28(29)21-7-2-1-3-8-21)19-30(23-11-12-23)35(32,33)24-13-10-20-6-4-5-9-22(20)18-24/h1-10,13,15,17-18,23,28H,11-12,14,16,19H2
• InChIKey: JKSOZYAZQWQYKZ-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 57.69 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.66
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]naphthalene-2-sulfonamide?

The IUPAC name of N-cyclopropyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]naphthalene-2-sulfonamide (CID 3388408) is N-cyclopropyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]naphthalene-2-sulfonamide.

What is the SMILES notation for N-cyclopropyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]naphthalene-2-sulfonamide?

The canonical SMILES for N-cyclopropyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]naphthalene-2-sulfonamide is O=C(CN(C1CC1)S(=O)(=O)c1ccc2ccccc2c1)N1CCc2sccc2C1c1ccccc1.

What is the InChIKey of N-cyclopropyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]naphthalene-2-sulfonamide?

The InChIKey is JKSOZYAZQWQYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O3S2/c31-27(29-16-14-26-25(15-17-34-26)28(29)21-7-2-1-3-8-21)19-30(23-11-12-23)35(32,33)24-13-10-20-6-4-5-9-22(20)18-24/h1-10,13,15,17-18,23,28H,11-12,14,16,19H2.

What are the key properties of N-cyclopropyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]naphthalene-2-sulfonamide?

N-cyclopropyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]naphthalene-2-sulfonamide has a molecular weight of 502.66 g/mol, XLogP of 5.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 3388408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).