N-(2-cyanoethyl)-N-(4-methylphenyl)-4-(2-methylpropyl)benzenesulfonamide

C20H24N2O2S — CID 55627378

IUPACN-(2-cyanoethyl)-N-(4-methylphenyl)-4-(2-methylpropyl)benzenesulfonamide
SMILESCc1ccc(N(CCC#N)S(=O)(=O)c2ccc(CC(C)C)cc2)cc1
InChIInChI=1S/C20H24N2O2S/c1-16(2)15-18-7-11-20(12-8-18)25(23,24)22(14-4-13-21)19-9-5-17(3)6-10-19/h5-12,16H,4,14-15H2,1-3H3
InChIKeyHAYKKXMRWRNRIM-UHFFFAOYSA-N
MW356.49 g/mol
LogP4.30
Rot. Bonds7

About N-(2-cyanoethyl)-N-(4-methylphenyl)-4-(2-methylpropyl)benzenesulfonamide

N-(2-cyanoethyl)-N-(4-methylphenyl)-4-(2-methylpropyl)benzenesulfonamide (PubChem CID 55627378) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(4-methylphenyl)-4-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(4-methylphenyl)-4-(2-methylpropyl)benzenesulfonamide
PubChem CID55627378
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC NameN-(2-cyanoethyl)-N-(4-methylphenyl)-4-(2-methylpropyl)benzenesulfonamide
SMILESCc1ccc(N(CCC#N)S(=O)(=O)c2ccc(CC(C)C)cc2)cc1
InChIInChI=1S/C20H24N2O2S/c1-16(2)15-18-7-11-20(12-8-18)25(23,24)22(14-4-13-21)19-9-5-17(3)6-10-19/h5-12,16H,4,14-15H2,1-3H3
InChIKeyHAYKKXMRWRNRIM-UHFFFAOYSA-N
XLogP4.30
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-N-(4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 55384022
N-(2-cyanoethyl)-N-methyl-3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)propanamide
CID 78796839
N-(2-cyanoethyl)-4-iodo-N-phenylbenzenesulfonamide
CID 3721933
N-(4-bromobutyl)-N-[4-[[4-[4-bromobutyl-(4-methylphenyl)sulfonylamino]phenyl]methyl]phenyl]-4-methylbenzenesulfonamide
CID 13498446
N-benzyl-2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)-N-(2-cyanoethyl)acetamide
CID 58978395
4-[4-[2-cyanoethyl-(4-methylphenyl)sulfamoyl]-2-fluorophenoxy]butanoic acid
CID 56532200
N-(4-aminophenyl)-4-methyl-N-propylbenzenesulfonamide
CID 63233552
N-[(4-chlorophenyl)methyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 3959248
N,N-bis[4-(2-methylpropyl)phenyl]benzenesulfonamide
CID 141472327
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
CID 51345316
3-[(4-methylphenyl)methyl-(2-methylpropyl)amino]propanenitrile
CID 54940299
methyl 3-[4-[5-[4-(3-methoxy-3-oxopropyl)-N-(4-methylphenyl)sulfonylanilino]pentyl-(4-methylphenyl)sulfonylamino]phenyl]propanoate
CID 10485120

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(4-methylphenyl)-4-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of N-(2-cyanoethyl)-N-(4-methylphenyl)-4-(2-methylpropyl)benzenesulfonamide (CID 55627378) is N-(2-cyanoethyl)-N-(4-methylphenyl)-4-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(4-methylphenyl)-4-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(4-methylphenyl)-4-(2-methylpropyl)benzenesulfonamide is Cc1ccc(N(CCC#N)S(=O)(=O)c2ccc(CC(C)C)cc2)cc1.
What is the InChIKey of N-(2-cyanoethyl)-N-(4-methylphenyl)-4-(2-methylpropyl)benzenesulfonamide?
The InChIKey is HAYKKXMRWRNRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-16(2)15-18-7-11-20(12-8-18)25(23,24)22(14-4-13-21)19-9-5-17(3)6-10-19/h5-12,16H,4,14-15H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-N-(4-methylphenyl)-4-(2-methylpropyl)benzenesulfonamide?
N-(2-cyanoethyl)-N-(4-methylphenyl)-4-(2-methylpropyl)benzenesulfonamide has a molecular weight of 356.49 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(4-methylphenyl)-4-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 55627378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).