(2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylpropanamide

C16H19N3O2S — CID 8981728

IUPAC(2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylpropanamide
SMILESCCNC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1C1CC1
InChIInChI=1S/C16H19N3O2S/c1-3-17-14(20)10(2)22-16-18-13-7-5-4-6-12(13)15(21)19(16)11-8-9-11/h4-7,10-11H,3,8-9H2,1-2H3,(H,17,20)/t10-/m0/s1
InChIKeyUKTNVSFIXLSQHT-JTQLQIEISA-N
MW317.41 g/mol
LogP2.35
Rot. Bonds5

About (2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylpropanamide

(2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylpropanamide (PubChem CID 8981728) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is (2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylpropanamide.

Molecular Properties

Compound Name(2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylpropanamide
PubChem CID8981728
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name(2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylpropanamide
SMILESCCNC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1C1CC1
InChIInChI=1S/C16H19N3O2S/c1-3-17-14(20)10(2)22-16-18-13-7-5-4-6-12(13)15(21)19(16)11-8-9-11/h4-7,10-11H,3,8-9H2,1-2H3,(H,17,20)/t10-/m0/s1
InChIKeyUKTNVSFIXLSQHT-JTQLQIEISA-N
XLogP2.35
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 51217033
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylpropanamide
CID 42896909
(2R)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-propan-2-ylphenyl)propanamide
CID 8980651
(2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-propan-2-ylphenyl)propanamide
CID 8980654
N-(cyclopropylcarbamoyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 46666399
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 8980500
(2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 8981264
(2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylpropanamide
CID 8980797
4-[[(2R)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanoyl]amino]benzamide
CID 8980730
3-cyclopropyl-2-[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one
CID 8980460
(2R)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 25491438
(2S)-N-ethyl-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 8603418

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylpropanamide?
The IUPAC name of (2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylpropanamide (CID 8981728) is (2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylpropanamide.
What is the SMILES notation for (2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylpropanamide?
The canonical SMILES for (2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylpropanamide is CCNC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1C1CC1.
What is the InChIKey of (2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylpropanamide?
The InChIKey is UKTNVSFIXLSQHT-JTQLQIEISA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-3-17-14(20)10(2)22-16-18-13-7-5-4-6-12(13)15(21)19(16)11-8-9-11/h4-7,10-11H,3,8-9H2,1-2H3,(H,17,20)/t10-/m0/s1.
What are the key properties of (2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylpropanamide?
(2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylpropanamide has a molecular weight of 317.41 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylpropanamide is sourced from PubChem (CID 8981728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).