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

C23H27N3O3S — CID 135735216

IUPAC4-cyclohexyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)S(=O)(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C23H27N3O3S/c1-2-26(16-22-24-21-11-7-6-10-20(21)23(27)25-22)30(28,29)19-14-12-18(13-15-19)17-8-4-3-5-9-17/h6-7,10-15,17H,2-5,8-9,16H2,1H3,(H,24,25,27)
InChIKeyXDELRQYFFZHJFP-UHFFFAOYSA-N
MW425.55 g/mol
LogP4.18
Rot. Bonds6

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

4-cyclohexyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide (PubChem CID 135735216) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is 4-cyclohexyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyclohexyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide
PubChem CID135735216
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC Name4-cyclohexyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)S(=O)(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C23H27N3O3S/c1-2-26(16-22-24-21-11-7-6-10-20(21)23(27)25-22)30(28,29)19-14-12-18(13-15-19)17-8-4-3-5-9-17/h6-7,10-15,17H,2-5,8-9,16H2,1H3,(H,24,25,27)
InChIKeyXDELRQYFFZHJFP-UHFFFAOYSA-N
XLogP4.18
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3,4-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide
CID 135735198
N-cyclohexyl-4-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide
CID 135417677
N-ethyl-2-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 135729781
2-[[cycloheptyl(methyl)amino]methyl]-3H-quinazolin-4-one
CID 135850085
4-methoxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide
CID 135509255
4-chloro-N-ethyl-2-fluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide
CID 135735208
(4-oxo-3H-quinazolin-2-yl)methyl 4-(diethylsulfamoyl)benzoate
CID 135734831
2-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one
CID 135808114
3-cyclohexyl-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]thiourea
CID 135789332
4-cyclohexyl-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 52753328
N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-2-carboxamide
CID 137118075
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)methanesulfonamide
CID 135592194

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-cyclohexyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide (CID 135735216) is 4-cyclohexyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-cyclohexyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-cyclohexyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide is CCN(Cc1nc2ccccc2c(=O)[nH]1)S(=O)(=O)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 4-cyclohexyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide?
The InChIKey is XDELRQYFFZHJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-2-26(16-22-24-21-11-7-6-10-20(21)23(27)25-22)30(28,29)19-14-12-18(13-15-19)17-8-4-3-5-9-17/h6-7,10-15,17H,2-5,8-9,16H2,1H3,(H,24,25,27).
What are the key properties of 4-cyclohexyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide?
4-cyclohexyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide has a molecular weight of 425.55 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 135735216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).