N-cyclohexyl-4-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide

C22H25N3O3S — CID 135417677

IUPACN-cyclohexyl-4-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C2CCCCC2)cc1
InChIInChI=1S/C22H25N3O3S/c1-16-11-13-18(14-12-16)29(27,28)25(17-7-3-2-4-8-17)15-21-23-20-10-6-5-9-19(20)22(26)24-21/h5-6,9-14,17H,2-4,7-8,15H2,1H3,(H,23,24,26)
InChIKeyVBYOJZPTURMBKQ-UHFFFAOYSA-N
MW411.53 g/mol
LogP3.76
Rot. Bonds5

About N-cyclohexyl-4-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide

N-cyclohexyl-4-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide (PubChem CID 135417677) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is N-cyclohexyl-4-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-4-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide
PubChem CID135417677
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC NameN-cyclohexyl-4-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C2CCCCC2)cc1
InChIInChI=1S/C22H25N3O3S/c1-16-11-13-18(14-12-16)29(27,28)25(17-7-3-2-4-8-17)15-21-23-20-10-6-5-9-19(20)22(26)24-21/h5-6,9-14,17H,2-4,7-8,15H2,1H3,(H,23,24,26)
InChIKeyVBYOJZPTURMBKQ-UHFFFAOYSA-N
XLogP3.76
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[cycloheptyl(methyl)amino]methyl]-3H-quinazolin-4-one
CID 135850085
4-cyclohexyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide
CID 135735216
N-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopropanecarboxamide
CID 135429091
N-cyclohexyl-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-phenylacetamide
CID 135718611
1-cyclopentyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylurea
CID 135481243
N-ethyl-3,4-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide
CID 135735198
2-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3H-quinazolin-4-one
CID 135849148
N-cyclopentyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzenesulfonamide
CID 1168758
2-[[methyl-[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]-3H-quinazolin-4-one
CID 136688103
N-cyclohexyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1168686
2-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-3H-quinazolin-4-one
CID 135891186
3-(2-chlorophenyl)-1-cyclohexyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 135417697

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of N-cyclohexyl-4-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide (CID 135417677) is N-cyclohexyl-4-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-4-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-cyclohexyl-4-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-4-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide?
The InChIKey is VBYOJZPTURMBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-16-11-13-18(14-12-16)29(27,28)25(17-7-3-2-4-8-17)15-21-23-20-10-6-5-9-19(20)22(26)24-21/h5-6,9-14,17H,2-4,7-8,15H2,1H3,(H,23,24,26).
What are the key properties of N-cyclohexyl-4-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide?
N-cyclohexyl-4-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide has a molecular weight of 411.53 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 135417677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).