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

C22H23N3O2S — CID 8980797

IUPAC(2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylpropanamide
SMILESCCN(C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1C1CC1)c1ccccc1
InChIInChI=1S/C22H23N3O2S/c1-3-24(16-9-5-4-6-10-16)20(26)15(2)28-22-23-19-12-8-7-11-18(19)21(27)25(22)17-13-14-17/h4-12,15,17H,3,13-14H2,1-2H3/t15-/m0/s1
InChIKeyYAHVDCHHWVPBNU-HNNXBMFYSA-N
MW393.51 g/mol
LogP4.27
Rot. Bonds6

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

(2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylpropanamide (PubChem CID 8980797) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is (2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylpropanamide
PubChem CID8980797
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name(2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylpropanamide
SMILESCCN(C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1C1CC1)c1ccccc1
InChIInChI=1S/C22H23N3O2S/c1-3-24(16-9-5-4-6-10-16)20(26)15(2)28-22-23-19-12-8-7-11-18(19)21(27)25(22)17-13-14-17/h4-12,15,17H,3,13-14H2,1-2H3/t15-/m0/s1
InChIKeyYAHVDCHHWVPBNU-HNNXBMFYSA-N
XLogP4.27
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-methyl-N-phenylpropanamide
CID 9320924
(2R)-N-cyclohexyl-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylpropanamide
CID 7988544
(2R)-N-ethyl-2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-phenylpropanamide
CID 9329810
(2S)-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylpropanamide
CID 2550961
(2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylpropanamide
CID 8981728
(2S)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylpropanamide
CID 9329574
3-cyclopropyl-2-[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one
CID 8980460
3-cyclopropyl-2-[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one
CID 8981095
2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenyl-N-propan-2-ylacetamide
CID 51217015
N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 51217033
2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide
CID 51217052
3-cyclopropyl-2-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one
CID 46611264

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylpropanamide?
The IUPAC name of (2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylpropanamide (CID 8980797) is (2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylpropanamide.
What is the SMILES notation for (2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylpropanamide?
The canonical SMILES for (2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylpropanamide is CCN(C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1C1CC1)c1ccccc1.
What is the InChIKey of (2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylpropanamide?
The InChIKey is YAHVDCHHWVPBNU-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-3-24(16-9-5-4-6-10-16)20(26)15(2)28-22-23-19-12-8-7-11-18(19)21(27)25(22)17-13-14-17/h4-12,15,17H,3,13-14H2,1-2H3/t15-/m0/s1.
What are the key properties of (2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylpropanamide?
(2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylpropanamide has a molecular weight of 393.51 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 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-ethyl-N-phenylpropanamide is sourced from PubChem (CID 8980797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).