(2S)-N-cyclopentyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide

C18H23N3O2S — CID 7876016

IUPAC(2S)-N-cyclopentyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
SMILESCCn1c(S[C@@H](C)C(=O)NC2CCCC2)nc2ccccc2c1=O
InChIInChI=1S/C18H23N3O2S/c1-3-21-17(23)14-10-6-7-11-15(14)20-18(21)24-12(2)16(22)19-13-8-4-5-9-13/h6-7,10-13H,3-5,8-9H2,1-2H3,(H,19,22)/t12-/m0/s1
InChIKeySHIJYSLBMXQLMQ-LBPRGKRZSA-N
MW345.47 g/mol
LogP2.96
Rot. Bonds5

About (2S)-N-cyclopentyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide

(2S)-N-cyclopentyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide (PubChem CID 7876016) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-cyclopentyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
PubChem CID7876016
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name(2S)-N-cyclopentyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
SMILESCCn1c(S[C@@H](C)C(=O)NC2CCCC2)nc2ccccc2c1=O
InChIInChI=1S/C18H23N3O2S/c1-3-21-17(23)14-10-6-7-11-15(14)20-18(21)24-12(2)16(22)19-13-8-4-5-9-13/h6-7,10-13H,3-5,8-9H2,1-2H3,(H,19,22)/t12-/m0/s1
InChIKeySHIJYSLBMXQLMQ-LBPRGKRZSA-N
XLogP2.96
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 18777264
(2S)-N-cyclopropyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 7876048
(2S)-N-cyclopentyl-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide
CID 9329750
N-cyclopentyl-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 3620871
(2R)-N-cyclohexyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylpropanamide
CID 8674952
methyl 2-[2-[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]acetate
CID 7647638
N-cyclopentyl-2-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 3918372
(2R)-2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylpropanamide
CID 40681888
(2R)-N-cycloheptyl-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 8578602
N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 51217033
2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-(cyclohexylcarbamoyl)propanamide
CID 3442015
(2R)-2-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxoquinazolin-2-yl]sulfanyl-N-cyclopentylpropanamide
CID 7582219

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopentyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide?
The IUPAC name of (2S)-N-cyclopentyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide (CID 7876016) is (2S)-N-cyclopentyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-cyclopentyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-cyclopentyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide is CCn1c(S[C@@H](C)C(=O)NC2CCCC2)nc2ccccc2c1=O.
What is the InChIKey of (2S)-N-cyclopentyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide?
The InChIKey is SHIJYSLBMXQLMQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-3-21-17(23)14-10-6-7-11-15(14)20-18(21)24-12(2)16(22)19-13-8-4-5-9-13/h6-7,10-13H,3-5,8-9H2,1-2H3,(H,19,22)/t12-/m0/s1.
What are the key properties of (2S)-N-cyclopentyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide?
(2S)-N-cyclopentyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide has a molecular weight of 345.47 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopentyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide is sourced from PubChem (CID 7876016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).