N-(cyclopentylcarbamoyl)-3-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide

C25H28N4O3S — CID 24665792

IUPACN-(cyclopentylcarbamoyl)-3-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
SMILESCc1cc(C)cc(-n2c(SCCC(=O)NC(=O)NC3CCCC3)nc3ccccc3c2=O)c1
InChIInChI=1S/C25H28N4O3S/c1-16-13-17(2)15-19(14-16)29-23(31)20-9-5-6-10-21(20)27-25(29)33-12-11-22(30)28-24(32)26-18-7-3-4-8-18/h5-6,9-10,13-15,18H,3-4,7-8,11-12H2,1-2H3,(H2,26,28,30,32)
InChIKeyLMCPSDSAUPFDME-UHFFFAOYSA-N
MW464.59 g/mol
LogP4.25
Rot. Bonds6

About N-(cyclopentylcarbamoyl)-3-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide

N-(cyclopentylcarbamoyl)-3-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide (PubChem CID 24665792) has the molecular formula C25H28N4O3S and a molecular weight of 464.59 g/mol. Its IUPAC name is N-(cyclopentylcarbamoyl)-3-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(cyclopentylcarbamoyl)-3-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
PubChem CID24665792
Molecular FormulaC25H28N4O3S
Molecular Weight464.59 g/mol
Exact Mass464.19
IUPAC NameN-(cyclopentylcarbamoyl)-3-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
SMILESCc1cc(C)cc(-n2c(SCCC(=O)NC(=O)NC3CCCC3)nc3ccccc3c2=O)c1
InChIInChI=1S/C25H28N4O3S/c1-16-13-17(2)15-19(14-16)29-23(31)20-9-5-6-10-21(20)27-25(29)33-12-11-22(30)28-24(32)26-18-7-3-4-8-18/h5-6,9-10,13-15,18H,3-4,7-8,11-12H2,1-2H3,(H2,26,28,30,32)
InChIKeyLMCPSDSAUPFDME-UHFFFAOYSA-N
XLogP4.25
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclopropylcarbamoyl)-2-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 41408569
N-(cyclohexylcarbamoyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 2627144
2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide
CID 35862431
N-cyclopropyl-3-[[2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzamide
CID 46668571
N-(cyclohexylcarbamoyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 8980360
2-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylacetamide
CID 1328524
N-cyclohexyl-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 1073126
3-(3,5-dimethylphenyl)-2-(oxan-2-ylmethylsulfanyl)quinazolin-4-one
CID 4812088
N-cyclohexyl-2-[3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 42658241
N-(cyclopentylcarbamoyl)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 7465795
2-[(2-chlorophenyl)methylsulfanyl]-N-cyclopentyl-3-(3,5-dimethylphenyl)-4-oxoquinazoline-7-carboxamide
CID 46361998
N-(4-methylcyclohexyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 8871437

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylcarbamoyl)-3-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide?
The IUPAC name of N-(cyclopentylcarbamoyl)-3-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide (CID 24665792) is N-(cyclopentylcarbamoyl)-3-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide.
What is the SMILES notation for N-(cyclopentylcarbamoyl)-3-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide?
The canonical SMILES for N-(cyclopentylcarbamoyl)-3-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide is Cc1cc(C)cc(-n2c(SCCC(=O)NC(=O)NC3CCCC3)nc3ccccc3c2=O)c1.
What is the InChIKey of N-(cyclopentylcarbamoyl)-3-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide?
The InChIKey is LMCPSDSAUPFDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3S/c1-16-13-17(2)15-19(14-16)29-23(31)20-9-5-6-10-21(20)27-25(29)33-12-11-22(30)28-24(32)26-18-7-3-4-8-18/h5-6,9-10,13-15,18H,3-4,7-8,11-12H2,1-2H3,(H2,26,28,30,32).
What are the key properties of N-(cyclopentylcarbamoyl)-3-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide?
N-(cyclopentylcarbamoyl)-3-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide has a molecular weight of 464.59 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylcarbamoyl)-3-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide is sourced from PubChem (CID 24665792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).