(2R)-N-cyclohexyl-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylpropanamide

C24H33N3O2S — CID 7988544

IUPAC(2R)-N-cyclohexyl-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylpropanamide
SMILESCCN(C(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1C1CCCC1)C1CCCCC1
InChIInChI=1S/C24H33N3O2S/c1-3-26(18-11-5-4-6-12-18)22(28)17(2)30-24-25-21-16-10-9-15-20(21)23(29)27(24)19-13-7-8-14-19/h9-10,15-19H,3-8,11-14H2,1-2H3/t17-/m1/s1
InChIKeySVPSSXZRUHHFIC-QGZVFWFLSA-N
MW427.61 g/mol
LogP5.17
Rot. Bonds6

About (2R)-N-cyclohexyl-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylpropanamide

(2R)-N-cyclohexyl-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylpropanamide (PubChem CID 7988544) has the molecular formula C24H33N3O2S and a molecular weight of 427.61 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylpropanamide.

Molecular Properties

Compound Name(2R)-N-cyclohexyl-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylpropanamide
PubChem CID7988544
Molecular FormulaC24H33N3O2S
Molecular Weight427.61 g/mol
Exact Mass427.23
IUPAC Name(2R)-N-cyclohexyl-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylpropanamide
SMILESCCN(C(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1C1CCCC1)C1CCCCC1
InChIInChI=1S/C24H33N3O2S/c1-3-26(18-11-5-4-6-12-18)22(28)17(2)30-24-25-21-16-10-9-15-20(21)23(29)27(24)19-13-7-8-14-19/h9-10,15-19H,3-8,11-14H2,1-2H3/t17-/m1/s1
InChIKeySVPSSXZRUHHFIC-QGZVFWFLSA-N
XLogP5.17
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.61
LogP ≤ 55.17
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
(2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylpropanamide
CID 8980797
N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylacetamide
CID 8980002
N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 51217033
2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-diethylacetamide
CID 1071921
(2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylpropanamide
CID 8981728
N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-propan-2-ylacetamide
CID 8981515
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylpropanamide
CID 42896909
(2S)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 41359015
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-cyclohexyl-N-methylpropanamide
CID 55317625
(2S)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylhexanamide
CID 52522994
N-cyclohexyl-N-ethyl-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 17482680

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylpropanamide?
The IUPAC name of (2R)-N-cyclohexyl-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylpropanamide (CID 7988544) is (2R)-N-cyclohexyl-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylpropanamide.
What is the SMILES notation for (2R)-N-cyclohexyl-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylpropanamide?
The canonical SMILES for (2R)-N-cyclohexyl-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylpropanamide is CCN(C(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1C1CCCC1)C1CCCCC1.
What is the InChIKey of (2R)-N-cyclohexyl-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylpropanamide?
The InChIKey is SVPSSXZRUHHFIC-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H33N3O2S/c1-3-26(18-11-5-4-6-12-18)22(28)17(2)30-24-25-21-16-10-9-15-20(21)23(29)27(24)19-13-7-8-14-19/h9-10,15-19H,3-8,11-14H2,1-2H3/t17-/m1/s1.
What are the key properties of (2R)-N-cyclohexyl-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylpropanamide?
(2R)-N-cyclohexyl-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylpropanamide has a molecular weight of 427.61 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclohexyl-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylpropanamide is sourced from PubChem (CID 7988544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).