N-[(1R,2S)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylcyclohexyl]benzenesulfonamide

C24H29N3O3S2 — CID 2427256

IUPACN-[(1R,2S)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylcyclohexyl]benzenesulfonamide
SMILESCCCCn1c(S[C@H]2CCCC[C@H]2NS(=O)(=O)c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C24H29N3O3S2/c1-2-3-17-27-23(28)19-13-7-8-14-20(19)25-24(27)31-22-16-10-9-15-21(22)26-32(29,30)18-11-5-4-6-12-18/h4-8,11-14,21-22,26H,2-3,9-10,15-17H2,1H3/t21-,22+/m1/s1
InChIKeyIXLNONYXNNGKOW-YADHBBJMSA-N
MW471.65 g/mol
LogP4.58
Rot. Bonds8

About N-[(1R,2S)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylcyclohexyl]benzenesulfonamide

N-[(1R,2S)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylcyclohexyl]benzenesulfonamide (PubChem CID 2427256) has the molecular formula C24H29N3O3S2 and a molecular weight of 471.65 g/mol. Its IUPAC name is N-[(1R,2S)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylcyclohexyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylcyclohexyl]benzenesulfonamide
PubChem CID2427256
Molecular FormulaC24H29N3O3S2
Molecular Weight471.65 g/mol
Exact Mass471.17
IUPAC NameN-[(1R,2S)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylcyclohexyl]benzenesulfonamide
SMILESCCCCn1c(S[C@H]2CCCC[C@H]2NS(=O)(=O)c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C24H29N3O3S2/c1-2-3-17-27-23(28)19-13-7-8-14-20(19)25-24(27)31-22-16-10-9-15-21(22)26-32(29,30)18-11-5-4-6-12-18/h4-8,11-14,21-22,26H,2-3,9-10,15-17H2,1H3/t21-,22+/m1/s1
InChIKeyIXLNONYXNNGKOW-YADHBBJMSA-N
XLogP4.58
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.65
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1R,2S)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylcyclohexyl]benzenesulfonamide 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 N-[(1R,2S)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylcyclohexyl]benzenesulfonamide?
The IUPAC name of N-[(1R,2S)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylcyclohexyl]benzenesulfonamide (CID 2427256) is N-[(1R,2S)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylcyclohexyl]benzenesulfonamide.
What is the SMILES notation for N-[(1R,2S)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylcyclohexyl]benzenesulfonamide?
The canonical SMILES for N-[(1R,2S)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylcyclohexyl]benzenesulfonamide is CCCCn1c(S[C@H]2CCCC[C@H]2NS(=O)(=O)c2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of N-[(1R,2S)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylcyclohexyl]benzenesulfonamide?
The InChIKey is IXLNONYXNNGKOW-YADHBBJMSA-N. The full InChI is InChI=1S/C24H29N3O3S2/c1-2-3-17-27-23(28)19-13-7-8-14-20(19)25-24(27)31-22-16-10-9-15-21(22)26-32(29,30)18-11-5-4-6-12-18/h4-8,11-14,21-22,26H,2-3,9-10,15-17H2,1H3/t21-,22+/m1/s1.
What are the key properties of N-[(1R,2S)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylcyclohexyl]benzenesulfonamide?
N-[(1R,2S)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylcyclohexyl]benzenesulfonamide has a molecular weight of 471.65 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylcyclohexyl]benzenesulfonamide is sourced from PubChem (CID 2427256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).