N-cyclopentyl-2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide

C24H27N3O3S — CID 3949503

IUPACN-cyclopentyl-2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
SMILESCCOc1ccc(-n2c(SC(C)C(=O)NC3CCCC3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C24H27N3O3S/c1-3-30-19-14-12-18(13-15-19)27-23(29)20-10-6-7-11-21(20)26-24(27)31-16(2)22(28)25-17-8-4-5-9-17/h6-7,10-17H,3-5,8-9H2,1-2H3,(H,25,28)
InChIKeyLJZBXXQRUQKDFT-UHFFFAOYSA-N
MW437.57 g/mol
LogP4.32
Rot. Bonds7

About N-cyclopentyl-2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide

N-cyclopentyl-2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide (PubChem CID 3949503) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-cyclopentyl-2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
PubChem CID3949503
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC NameN-cyclopentyl-2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
SMILESCCOc1ccc(-n2c(SC(C)C(=O)NC3CCCC3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C24H27N3O3S/c1-3-30-19-14-12-18(13-15-19)27-23(29)20-10-6-7-11-21(20)26-24(27)31-16(2)22(28)25-17-8-4-5-9-17/h6-7,10-17H,3-5,8-9H2,1-2H3,(H,25,28)
InChIKeyLJZBXXQRUQKDFT-UHFFFAOYSA-N
XLogP4.32
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-cyclopentyl-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 2631950
(2S)-N-cyclopentyl-2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 2631681
(2S)-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethoxyphenyl)propanamide
CID 26517105
(2S)-N-cyclopentyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 7876016
N-cyclopentyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 18777264
(2S)-N-cyclopentyl-2-[3-(2,6-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 7501251
(2S)-N-cyclopentyl-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 2631822
N-cyclopentyl-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylpropanamide
CID 42968976
(2S)-N-cyclopentyl-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide
CID 9329750
N-cyclopentyl-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 3620871
N-cyclopropyl-2-[3-(9-ethylcarbazol-3-yl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 42977783
(2R)-2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylpropanamide
CID 40681888

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide?
The IUPAC name of N-cyclopentyl-2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide (CID 3949503) is N-cyclopentyl-2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide.
What is the SMILES notation for N-cyclopentyl-2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide?
The canonical SMILES for N-cyclopentyl-2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide is CCOc1ccc(-n2c(SC(C)C(=O)NC3CCCC3)nc3ccccc3c2=O)cc1.
What is the InChIKey of N-cyclopentyl-2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide?
The InChIKey is LJZBXXQRUQKDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-3-30-19-14-12-18(13-15-19)27-23(29)20-10-6-7-11-21(20)26-24(27)31-16(2)22(28)25-17-8-4-5-9-17/h6-7,10-17H,3-5,8-9H2,1-2H3,(H,25,28).
What are the key properties of N-cyclopentyl-2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide?
N-cyclopentyl-2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide has a molecular weight of 437.57 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide is sourced from PubChem (CID 3949503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).