3-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-N,N-dimethylbenzenesulfonamide

C22H25N3O3S2 — CID 30030067

IUPAC3-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(CSc2nc3ccccc3c(=O)n2C2CCCC2)c1
InChIInChI=1S/C22H25N3O3S2/c1-24(2)30(27,28)18-11-7-8-16(14-18)15-29-22-23-20-13-6-5-12-19(20)21(26)25(22)17-9-3-4-10-17/h5-8,11-14,17H,3-4,9-10,15H2,1-2H3
InChIKeyFKBNAESNVJZSIK-UHFFFAOYSA-N
MW443.59 g/mol
LogP4.05
Rot. Bonds6

About 3-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-N,N-dimethylbenzenesulfonamide

3-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 30030067) has the molecular formula C22H25N3O3S2 and a molecular weight of 443.59 g/mol. Its IUPAC name is 3-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-N,N-dimethylbenzenesulfonamide
PubChem CID30030067
Molecular FormulaC22H25N3O3S2
Molecular Weight443.59 g/mol
Exact Mass443.13
IUPAC Name3-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(CSc2nc3ccccc3c(=O)n2C2CCCC2)c1
InChIInChI=1S/C22H25N3O3S2/c1-24(2)30(27,28)18-11-7-8-16(14-18)15-29-22-23-20-13-6-5-12-19(20)21(26)25(22)17-9-3-4-10-17/h5-8,11-14,17H,3-4,9-10,15H2,1-2H3
InChIKeyFKBNAESNVJZSIK-UHFFFAOYSA-N
XLogP4.05
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-N,N-dimethylbenzenesulfonamide with MolForge

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Related Compounds

3-cyclopentyl-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one
CID 16578648
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-dimethylacetamide
CID 9362378
4-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzamide
CID 27350175
6-[(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione
CID 55479417
3-cyclohexyl-2-(pyridin-2-ylmethylsulfanyl)quinazolin-4-one
CID 38921957
3-cyclopentyl-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinazolin-4-one
CID 18130615
3-cyclopentyl-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]quinazolin-4-one
CID 55997776
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-cyclopentylquinazolin-4-one
CID 4660343
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 16542603
2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-diethylacetamide
CID 1071921
3-cyclopropyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one
CID 9381572
3-cyclopentyl-2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]quinazolin-4-one
CID 16611488

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-N,N-dimethylbenzenesulfonamide (CID 30030067) is 3-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1cccc(CSc2nc3ccccc3c(=O)n2C2CCCC2)c1.
What is the InChIKey of 3-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is FKBNAESNVJZSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S2/c1-24(2)30(27,28)18-11-7-8-16(14-18)15-29-22-23-20-13-6-5-12-19(20)21(26)25(22)17-9-3-4-10-17/h5-8,11-14,17H,3-4,9-10,15H2,1-2H3.
What are the key properties of 3-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-N,N-dimethylbenzenesulfonamide?
3-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 443.59 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 30030067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).