N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide

C25H31N3O3S — CID 42819974

IUPACN-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide
SMILESCOc1cccc(Cn2ccnc2CN(C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C25H31N3O3S/c1-20-11-13-24(14-12-20)32(29,30)28(22-8-4-3-5-9-22)19-25-26-15-16-27(25)18-21-7-6-10-23(17-21)31-2/h6-7,10-17,22H,3-5,8-9,18-19H2,1-2H3
InChIKeyUFARZTFNSXYFEP-UHFFFAOYSA-N
MW453.61 g/mol
LogP4.77
Rot. Bonds8

About N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide

N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide (PubChem CID 42819974) has the molecular formula C25H31N3O3S and a molecular weight of 453.61 g/mol. Its IUPAC name is N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide
PubChem CID42819974
Molecular FormulaC25H31N3O3S
Molecular Weight453.61 g/mol
Exact Mass453.21
IUPAC NameN-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide
SMILESCOc1cccc(Cn2ccnc2CN(C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C25H31N3O3S/c1-20-11-13-24(14-12-20)32(29,30)28(22-8-4-3-5-9-22)19-25-26-15-16-27(25)18-21-7-6-10-23(17-21)31-2/h6-7,10-17,22H,3-5,8-9,18-19H2,1-2H3
InChIKeyUFARZTFNSXYFEP-UHFFFAOYSA-N
XLogP4.77
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.61
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide
CID 42819766
N-(1,1-dioxothiolan-3-yl)-N-[(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 46300359
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 46048365
N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine
CID 42818895
1-cyclopropyl-N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]methanamine
CID 24715482
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 9189457
N-(1-benzylpiperidin-4-yl)-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 10205113
(2S)-N-cyclohexyl-2-[(3-methoxyphenyl)methyl-[2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]propanamide
CID 100508041
(2R)-N-cyclohexyl-2-[(3-methoxyphenyl)methyl-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-3-phenylpropanamide
CID 125084706
(2S)-N-cyclohexyl-2-[(3-methoxyphenyl)methyl-[2-(N-(4-methylphenyl)sulfonylanilino)acetyl]amino]propanamide
CID 100508003
4-methoxy-N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 42819785

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide (CID 42819974) is N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide is COc1cccc(Cn2ccnc2CN(C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide?
The InChIKey is UFARZTFNSXYFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3S/c1-20-11-13-24(14-12-20)32(29,30)28(22-8-4-3-5-9-22)19-25-26-15-16-27(25)18-21-7-6-10-23(17-21)31-2/h6-7,10-17,22H,3-5,8-9,18-19H2,1-2H3.
What are the key properties of N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide?
N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide has a molecular weight of 453.61 g/mol, XLogP of 4.77, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 42819974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).