(2S)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylhexanamide

C19H25N3O2S — CID 52522994

IUPAC(2S)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylhexanamide
SMILESCCCC[C@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)C(N)=O
InChIInChI=1S/C19H25N3O2S/c1-2-3-12-16(17(20)23)25-19-21-15-11-7-6-10-14(15)18(24)22(19)13-8-4-5-9-13/h6-7,10-11,13,16H,2-5,8-9,12H2,1H3,(H2,20,23)/t16-/m0/s1
InChIKeyRAYDGCXTRBZZCD-INIZCTEOSA-N
MW359.50 g/mol
LogP3.65
Rot. Bonds7

About (2S)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylhexanamide

(2S)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylhexanamide (PubChem CID 52522994) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is (2S)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylhexanamide.

Molecular Properties

Compound Name(2S)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylhexanamide
PubChem CID52522994
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name(2S)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylhexanamide
SMILESCCCC[C@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)C(N)=O
InChIInChI=1S/C19H25N3O2S/c1-2-3-12-16(17(20)23)25-19-21-15-11-7-6-10-14(15)18(24)22(19)13-8-4-5-9-13/h6-7,10-11,13,16H,2-5,8-9,12H2,1H3,(H2,20,23)/t16-/m0/s1
InChIKeyRAYDGCXTRBZZCD-INIZCTEOSA-N
XLogP3.65
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylhexanamide with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpentanoate
CID 42805883
N-butyl-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 3245927
(2R)-N-cyclohexyl-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylpropanamide
CID 7988544
(2R)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-methyl-N-phenylpropanamide
CID 9320924
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-pentan-3-ylacetamide
CID 7988471
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 17430885
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-dimethylacetamide
CID 9362378
(2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylpropanamide
CID 8981728
2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-diethylacetamide
CID 1071921
3-cyclopentyl-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]quinazolin-4-one
CID 42947997
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylpropanamide
CID 42896909
4-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzamide
CID 27350175

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylhexanamide?
The IUPAC name of (2S)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylhexanamide (CID 52522994) is (2S)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylhexanamide.
What is the SMILES notation for (2S)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylhexanamide?
The canonical SMILES for (2S)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylhexanamide is CCCC[C@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)C(N)=O.
What is the InChIKey of (2S)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylhexanamide?
The InChIKey is RAYDGCXTRBZZCD-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-2-3-12-16(17(20)23)25-19-21-15-11-7-6-10-14(15)18(24)22(19)13-8-4-5-9-13/h6-7,10-11,13,16H,2-5,8-9,12H2,1H3,(H2,20,23)/t16-/m0/s1.
What are the key properties of (2S)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylhexanamide?
(2S)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylhexanamide has a molecular weight of 359.50 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylhexanamide is sourced from PubChem (CID 52522994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).