N-cyclohexyl-N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide

C26H33N3O2S — CID 42819766

IUPACN-cyclohexyl-N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2nccn2Cc2cc(C)ccc2C)C2CCCCC2)cc1
InChIInChI=1S/C26H33N3O2S/c1-20-10-13-25(14-11-20)32(30,31)29(24-7-5-4-6-8-24)19-26-27-15-16-28(26)18-23-17-21(2)9-12-22(23)3/h9-17,24H,4-8,18-19H2,1-3H3
InChIKeyCQGSJDSATODPRI-UHFFFAOYSA-N
MW451.64 g/mol
LogP5.38
Rot. Bonds7

About N-cyclohexyl-N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide

N-cyclohexyl-N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide (PubChem CID 42819766) has the molecular formula C26H33N3O2S and a molecular weight of 451.64 g/mol. Its IUPAC name is N-cyclohexyl-N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide
PubChem CID42819766
Molecular FormulaC26H33N3O2S
Molecular Weight451.64 g/mol
Exact Mass451.23
IUPAC NameN-cyclohexyl-N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2nccn2Cc2cc(C)ccc2C)C2CCCCC2)cc1
InChIInChI=1S/C26H33N3O2S/c1-20-10-13-25(14-11-20)32(30,31)29(24-7-5-4-6-8-24)19-26-27-15-16-28(26)18-23-17-21(2)9-12-22(23)3/h9-17,24H,4-8,18-19H2,1-3H3
InChIKeyCQGSJDSATODPRI-UHFFFAOYSA-N
XLogP5.38
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.64
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide
CID 42819771
N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide
CID 42819974
N-cyclopentyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzenesulfonamide
CID 1168758
2-[cycloheptyl-(4-methylphenyl)sulfonylamino]acetate
CID 2095447
N-(2-aminoethyl)-N-cyclopentyl-4-methylbenzenesulfonamide
CID 63765049
N-[(2R)-2-chloro-2-(4-methylphenyl)ethyl]-N-cyclohexyl-4-methylbenzenesulfonamide
CID 155937368
N-cyclopentyl-N-[(2-hydroxyphenyl)methyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 155964421
N-cyclohexyl-4-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide
CID 135417677
N-cyclohexyl-N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluorobenzenesulfonamide
CID 1162192
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 9189457
N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47158476
2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 1232002

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-cyclohexyl-N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide (CID 42819766) is N-cyclohexyl-N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-cyclohexyl-N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(Cc2nccn2Cc2cc(C)ccc2C)C2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide?
The InChIKey is CQGSJDSATODPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2S/c1-20-10-13-25(14-11-20)32(30,31)29(24-7-5-4-6-8-24)19-26-27-15-16-28(26)18-23-17-21(2)9-12-22(23)3/h9-17,24H,4-8,18-19H2,1-3H3.
What are the key properties of N-cyclohexyl-N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide?
N-cyclohexyl-N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide has a molecular weight of 451.64 g/mol, XLogP of 5.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 42819766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).