2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide

C27H32N4O4S2 — CID 16542611

IUPAC2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2C2CCCC2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C27H32N4O4S2/c1-19-13-14-20(17-24(19)37(34,35)30-15-7-2-8-16-30)28-25(32)18-36-27-29-23-12-6-5-11-22(23)26(33)31(27)21-9-3-4-10-21/h5-6,11-14,17,21H,2-4,7-10,15-16,18H2,1H3,(H,28,32)
InChIKeyUEDDJCLQUABFAF-UHFFFAOYSA-N
MW540.71 g/mol
LogP4.73
Rot. Bonds7

About 2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide

2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 16542611) has the molecular formula C27H32N4O4S2 and a molecular weight of 540.71 g/mol. Its IUPAC name is 2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID16542611
Molecular FormulaC27H32N4O4S2
Molecular Weight540.71 g/mol
Exact Mass540.19
IUPAC Name2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2C2CCCC2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C27H32N4O4S2/c1-19-13-14-20(17-24(19)37(34,35)30-15-7-2-8-16-30)28-25(32)18-36-27-29-23-12-6-5-11-22(23)26(33)31(27)21-9-3-4-10-21/h5-6,11-14,17,21H,2-4,7-10,15-16,18H2,1H3,(H,28,32)
InChIKeyUEDDJCLQUABFAF-UHFFFAOYSA-N
XLogP4.73
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.71
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide with MolForge

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Related Compounds

2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 27328561
N-(3-acetylphenyl)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 7988583
2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 112785733
methyl 4-[[2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]benzoate
CID 1155405
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4005742
4-[[2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide
CID 27957508
N-(3-acetamidophenyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 8980188
2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 126479001
2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 31274039
2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide
CID 8979950
2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-phenylphenyl)acetamide
CID 46611934
N-butan-2-yl-2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide (CID 16542611) is 2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide is Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2C2CCCC2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is UEDDJCLQUABFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4S2/c1-19-13-14-20(17-24(19)37(34,35)30-15-7-2-8-16-30)28-25(32)18-36-27-29-23-12-6-5-11-22(23)26(33)31(27)21-9-3-4-10-21/h5-6,11-14,17,21H,2-4,7-10,15-16,18H2,1H3,(H,28,32).
What are the key properties of 2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide?
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 540.71 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 16542611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).