2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-pentan-3-ylacetamide

C20H27N3O2S — CID 7988471

IUPAC2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1
InChIInChI=1S/C20H27N3O2S/c1-3-14(4-2)21-18(24)13-26-20-22-17-12-8-7-11-16(17)19(25)23(20)15-9-5-6-10-15/h7-8,11-12,14-15H,3-6,9-10,13H2,1-2H3,(H,21,24)
InChIKeyNSPWRQVMZUKEJX-UHFFFAOYSA-N
MW373.52 g/mol
LogP3.91
Rot. Bonds7

About 2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-pentan-3-ylacetamide

2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-pentan-3-ylacetamide (PubChem CID 7988471) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is 2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-pentan-3-ylacetamide
PubChem CID7988471
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1
InChIInChI=1S/C20H27N3O2S/c1-3-14(4-2)21-18(24)13-26-20-22-17-12-8-7-11-16(17)19(25)23(20)15-9-5-6-10-15/h7-8,11-12,14-15H,3-6,9-10,13H2,1-2H3,(H,21,24)
InChIKeyNSPWRQVMZUKEJX-UHFFFAOYSA-N
XLogP3.91
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 51141133
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 17430885
N-butyl-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 3245927
2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-diethylacetamide
CID 1071921
2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7989255
2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 7989252
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-pentan-3-ylacetamide
CID 7875972
N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 8979979
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-dimethylacetamide
CID 9362378
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-ethoxyphenyl)acetamide
CID 7988603
2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide
CID 35862431
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,6-difluorophenyl)acetamide
CID 7988602

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-pentan-3-ylacetamide?
The IUPAC name of 2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-pentan-3-ylacetamide (CID 7988471) is 2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1.
What is the InChIKey of 2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-pentan-3-ylacetamide?
The InChIKey is NSPWRQVMZUKEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-3-14(4-2)21-18(24)13-26-20-22-17-12-8-7-11-16(17)19(25)23(20)15-9-5-6-10-15/h7-8,11-12,14-15H,3-6,9-10,13H2,1-2H3,(H,21,24).
What are the key properties of 2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-pentan-3-ylacetamide?
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-pentan-3-ylacetamide has a molecular weight of 373.52 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-pentan-3-ylacetamide is sourced from PubChem (CID 7988471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).