N-(cyclopentylcarbamoyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylpropanamide

C20H24N4O2S — CID 24579373

IUPACN-(cyclopentylcarbamoyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylpropanamide
SMILESCC(Sc1nc(C2CC2)nc2ccccc12)C(=O)NC(=O)NC1CCCC1
InChIInChI=1S/C20H24N4O2S/c1-12(18(25)24-20(26)21-14-6-2-3-7-14)27-19-15-8-4-5-9-16(15)22-17(23-19)13-10-11-13/h4-5,8-9,12-14H,2-3,6-7,10-11H2,1H3,(H2,21,24,25,26)
InChIKeyHYKHVFLTDSSOSB-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.76
Rot. Bonds5

About N-(cyclopentylcarbamoyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylpropanamide

N-(cyclopentylcarbamoyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylpropanamide (PubChem CID 24579373) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is N-(cyclopentylcarbamoyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(cyclopentylcarbamoyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylpropanamide
PubChem CID24579373
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC NameN-(cyclopentylcarbamoyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylpropanamide
SMILESCC(Sc1nc(C2CC2)nc2ccccc12)C(=O)NC(=O)NC1CCCC1
InChIInChI=1S/C20H24N4O2S/c1-12(18(25)24-20(26)21-14-6-2-3-7-14)27-19-15-8-4-5-9-16(15)22-17(23-19)13-10-11-13/h4-5,8-9,12-14H,2-3,6-7,10-11H2,1H3,(H2,21,24,25,26)
InChIKeyHYKHVFLTDSSOSB-UHFFFAOYSA-N
XLogP3.76
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)propanamide
CID 24579333
2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide
CID 24579339
2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-(cyclohexylcarbamoyl)propanamide
CID 3442015
(2S)-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide
CID 41103851
2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(2,4-dimethylphenyl)propanamide
CID 24579334
2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(2,4-difluorophenyl)propanamide
CID 24579343
(2R)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(cyclopropylcarbamoyl)propanamide
CID 41138316
2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 24579367
N-(cyclopropylcarbamoyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 46666399
N-cyclopentyl-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 3620871
(2S)-N-(cyclopentylcarbamoyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 8738957
N-(cyclohexylcarbamoyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 4779584

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylcarbamoyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylpropanamide?
The IUPAC name of N-(cyclopentylcarbamoyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylpropanamide (CID 24579373) is N-(cyclopentylcarbamoyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylpropanamide.
What is the SMILES notation for N-(cyclopentylcarbamoyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylpropanamide?
The canonical SMILES for N-(cyclopentylcarbamoyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylpropanamide is CC(Sc1nc(C2CC2)nc2ccccc12)C(=O)NC(=O)NC1CCCC1.
What is the InChIKey of N-(cyclopentylcarbamoyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylpropanamide?
The InChIKey is HYKHVFLTDSSOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-12(18(25)24-20(26)21-14-6-2-3-7-14)27-19-15-8-4-5-9-16(15)22-17(23-19)13-10-11-13/h4-5,8-9,12-14H,2-3,6-7,10-11H2,1H3,(H2,21,24,25,26).
What are the key properties of N-(cyclopentylcarbamoyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylpropanamide?
N-(cyclopentylcarbamoyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylpropanamide has a molecular weight of 384.51 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylcarbamoyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylpropanamide is sourced from PubChem (CID 24579373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).