N-(6-cyclohexylidene-2-methylhex-5-en-2-yl)-4-methylbenzenesulfonamide

C20H29NO2S — CID 102402030

IUPACN-(6-cyclohexylidene-2-methylhex-5-en-2-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)(C)CCC=C=C2CCCCC2)cc1
InChIInChI=1S/C20H29NO2S/c1-17-12-14-19(15-13-17)24(22,23)21-20(2,3)16-8-7-11-18-9-5-4-6-10-18/h7,12-15,21H,4-6,8-10,16H2,1-3H3
InChIKeyRSNPJAZKINAYLX-UHFFFAOYSA-N
MW347.52 g/mol
LogP4.88
Rot. Bonds6

About N-(6-cyclohexylidene-2-methylhex-5-en-2-yl)-4-methylbenzenesulfonamide

N-(6-cyclohexylidene-2-methylhex-5-en-2-yl)-4-methylbenzenesulfonamide (PubChem CID 102402030) has the molecular formula C20H29NO2S and a molecular weight of 347.52 g/mol. Its IUPAC name is N-(6-cyclohexylidene-2-methylhex-5-en-2-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(6-cyclohexylidene-2-methylhex-5-en-2-yl)-4-methylbenzenesulfonamide
PubChem CID102402030
Molecular FormulaC20H29NO2S
Molecular Weight347.52 g/mol
Exact Mass347.19
IUPAC NameN-(6-cyclohexylidene-2-methylhex-5-en-2-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)(C)CCC=C=C2CCCCC2)cc1
InChIInChI=1S/C20H29NO2S/c1-17-12-14-19(15-13-17)24(22,23)21-20(2,3)16-8-7-11-18-9-5-4-6-10-18/h7,12-15,21H,4-6,8-10,16H2,1-3H3
InChIKeyRSNPJAZKINAYLX-UHFFFAOYSA-N
XLogP4.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.52
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-cyclohexylideneprop-2-enyl)-4-methylbenzenesulfonamide
CID 11130078
4-methyl-N-(2-methyloct-7-en-2-yl)benzenesulfonamide
CID 177217634
4-methyl-N-(2-methylheptan-2-yl)benzenesulfonamide
CID 86230028
N-(1-amino-2-methylpropan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119975374
N-(1-methoxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide
CID 869818
N-tert-butyl-4-methylbenzenesulfonamide;ethane
CID 143460137
4-methyl-N-[2-(4-methylphenyl)-1-oxopropan-2-yl]benzenesulfonamide
CID 101403953
N-[2-methyl-1-(4-methylphenyl)propan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110601733
N-(2-cyanobutan-2-yl)-4-methylbenzenesulfonamide
CID 61122906
N-[1-(benzylamino)-2-methylpropan-2-yl]-4-methylbenzenesulfonamide
CID 25037551
N-(2-methylbutan-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 26948836
N-[2-[2-[bis[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl-[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]-4-methylbenzenesulfonamide;cyclopropane
CID 160936209

Frequently Asked Questions

What is the IUPAC name of N-(6-cyclohexylidene-2-methylhex-5-en-2-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(6-cyclohexylidene-2-methylhex-5-en-2-yl)-4-methylbenzenesulfonamide (CID 102402030) is N-(6-cyclohexylidene-2-methylhex-5-en-2-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(6-cyclohexylidene-2-methylhex-5-en-2-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(6-cyclohexylidene-2-methylhex-5-en-2-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC(C)(C)CCC=C=C2CCCCC2)cc1.
What is the InChIKey of N-(6-cyclohexylidene-2-methylhex-5-en-2-yl)-4-methylbenzenesulfonamide?
The InChIKey is RSNPJAZKINAYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO2S/c1-17-12-14-19(15-13-17)24(22,23)21-20(2,3)16-8-7-11-18-9-5-4-6-10-18/h7,12-15,21H,4-6,8-10,16H2,1-3H3.
What are the key properties of N-(6-cyclohexylidene-2-methylhex-5-en-2-yl)-4-methylbenzenesulfonamide?
N-(6-cyclohexylidene-2-methylhex-5-en-2-yl)-4-methylbenzenesulfonamide has a molecular weight of 347.52 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyclohexylidene-2-methylhex-5-en-2-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 102402030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).