(2R)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-methyl-N-phenylpropanamide

C23H25N3O2S — CID 9320924

IUPAC(2R)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-methyl-N-phenylpropanamide
SMILESC[C@@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)C(=O)N(C)c1ccccc1
InChIInChI=1S/C23H25N3O2S/c1-16(21(27)25(2)17-10-4-3-5-11-17)29-23-24-20-15-9-8-14-19(20)22(28)26(23)18-12-6-7-13-18/h3-5,8-11,14-16,18H,6-7,12-13H2,1-2H3/t16-/m1/s1
InChIKeyAVHOPUZMIJYLLM-MRXNPFEDSA-N
MW407.54 g/mol
LogP4.66
Rot. Bonds5

About (2R)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-methyl-N-phenylpropanamide

(2R)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-methyl-N-phenylpropanamide (PubChem CID 9320924) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is (2R)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-methyl-N-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-methyl-N-phenylpropanamide
PubChem CID9320924
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC Name(2R)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-methyl-N-phenylpropanamide
SMILESC[C@@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)C(=O)N(C)c1ccccc1
InChIInChI=1S/C23H25N3O2S/c1-16(21(27)25(2)17-10-4-3-5-11-17)29-23-24-20-15-9-8-14-19(20)22(28)26(23)18-12-6-7-13-18/h3-5,8-11,14-16,18H,6-7,12-13H2,1-2H3/t16-/m1/s1
InChIKeyAVHOPUZMIJYLLM-MRXNPFEDSA-N
XLogP4.66
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-cyclohexyl-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylpropanamide
CID 7988544
(2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylpropanamide
CID 8980797
N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 51217033
(2S)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-phenylpropanamide
CID 2439456
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylpropanamide
CID 42896909
2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide
CID 51217052
(2S)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-methyl-N-phenylpropanamide
CID 7856781
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-dimethylacetamide
CID 9362378
(2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylpropanamide
CID 8981728
3-cyclopropyl-2-[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one
CID 8981095
N-(cyclopropylcarbamoyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 46666399
2-[3-[4-(difluoromethoxy)phenyl]-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-phenylpropanamide
CID 4815300

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-methyl-N-phenylpropanamide?
The IUPAC name of (2R)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-methyl-N-phenylpropanamide (CID 9320924) is (2R)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-methyl-N-phenylpropanamide.
What is the SMILES notation for (2R)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-methyl-N-phenylpropanamide?
The canonical SMILES for (2R)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-methyl-N-phenylpropanamide is C[C@@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)C(=O)N(C)c1ccccc1.
What is the InChIKey of (2R)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-methyl-N-phenylpropanamide?
The InChIKey is AVHOPUZMIJYLLM-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H25N3O2S/c1-16(21(27)25(2)17-10-4-3-5-11-17)29-23-24-20-15-9-8-14-19(20)22(28)26(23)18-12-6-7-13-18/h3-5,8-11,14-16,18H,6-7,12-13H2,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-methyl-N-phenylpropanamide?
(2R)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-methyl-N-phenylpropanamide has a molecular weight of 407.54 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-methyl-N-phenylpropanamide is sourced from PubChem (CID 9320924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).