3-methyl-N-[(1R)-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide

C20H19N3O4S2 — CID 92559124

IUPAC3-methyl-N-[(1R)-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCc1ccc([C@@H](Cc2ccsc2)NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)nc1
InChIInChI=1S/C20H19N3O4S2/c1-13-3-5-16(21-11-13)17(9-14-7-8-28-12-14)22-29(25,26)15-4-6-18-19(10-15)27-20(24)23(18)2/h3-8,10-12,17,22H,9H2,1-2H3/t17-/m1/s1
InChIKeyWXJXUKFKSSPVDV-QGZVFWFLSA-N
MW429.52 g/mol
LogP3.16
Rot. Bonds6

About 3-methyl-N-[(1R)-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide

3-methyl-N-[(1R)-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide (PubChem CID 92559124) has the molecular formula C20H19N3O4S2 and a molecular weight of 429.52 g/mol. Its IUPAC name is 3-methyl-N-[(1R)-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-[(1R)-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide
PubChem CID92559124
Molecular FormulaC20H19N3O4S2
Molecular Weight429.52 g/mol
Exact Mass429.08
IUPAC Name3-methyl-N-[(1R)-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCc1ccc([C@@H](Cc2ccsc2)NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)nc1
InChIInChI=1S/C20H19N3O4S2/c1-13-3-5-16(21-11-13)17(9-14-7-8-28-12-14)22-29(25,26)15-4-6-18-19(10-15)27-20(24)23(18)2/h3-8,10-12,17,22H,9H2,1-2H3/t17-/m1/s1
InChIKeyWXJXUKFKSSPVDV-QGZVFWFLSA-N
XLogP3.16
TPSA94.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-methyl-N-[(1R)-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1R)-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of 3-methyl-N-[(1R)-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide (CID 92559124) is 3-methyl-N-[(1R)-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for 3-methyl-N-[(1R)-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for 3-methyl-N-[(1R)-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide is Cc1ccc([C@@H](Cc2ccsc2)NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)nc1.
What is the InChIKey of 3-methyl-N-[(1R)-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide?
The InChIKey is WXJXUKFKSSPVDV-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H19N3O4S2/c1-13-3-5-16(21-11-13)17(9-14-7-8-28-12-14)22-29(25,26)15-4-6-18-19(10-15)27-20(24)23(18)2/h3-8,10-12,17,22H,9H2,1-2H3/t17-/m1/s1.
What are the key properties of 3-methyl-N-[(1R)-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide?
3-methyl-N-[(1R)-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide has a molecular weight of 429.52 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1R)-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 92559124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).