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

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Related Compounds

(2S)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 11939252
3-butyl-2-(4-hydroxybutylsulfanyl)quinazolin-4-one
CID 110931344
2-(2-bromoprop-2-enylsulfanyl)-3-butylquinazolin-4-one
CID 52727602
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-carbamoylacetamide
CID 2691088
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-cyclohexyl-N-methylpropanamide
CID 55317625
2-butylsulfanyl-3-(3-hydroxypropyl)quinazolin-4-one
CID 78815225
2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 2696328
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(cyclopropylmethyl)-N-methylacetamide
CID 55847606
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4814473
2-(2-oxocycloheptyl)sulfanyl-3-(3-phenylpropyl)quinazolin-4-one
CID 43055116
2-amino-3-butylquinazolin-4-one
CID 71653207
N-[2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetyl]benzamide
CID 7856771

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).