N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide

C23H29N3O4S — CID 55627297

IUPACN-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide
SMILESCOc1cc(OC)cc(C(NS(=O)(=O)c2ccc(CC(C)C)cc2)c2nccn2C)c1
InChIInChI=1S/C23H29N3O4S/c1-16(2)12-17-6-8-21(9-7-17)31(27,28)25-22(23-24-10-11-26(23)3)18-13-19(29-4)15-20(14-18)30-5/h6-11,13-16,22,25H,12H2,1-5H3
InChIKeyFNPKDNUTOUSJOW-UHFFFAOYSA-N
MW443.57 g/mol
LogP3.70
Rot. Bonds9

About N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide

N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide (PubChem CID 55627297) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide
PubChem CID55627297
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC NameN-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide
SMILESCOc1cc(OC)cc(C(NS(=O)(=O)c2ccc(CC(C)C)cc2)c2nccn2C)c1
InChIInChI=1S/C23H29N3O4S/c1-16(2)12-17-6-8-21(9-7-17)31(27,28)25-22(23-24-10-11-26(23)3)18-13-19(29-4)15-20(14-18)30-5/h6-11,13-16,22,25H,12H2,1-5H3
InChIKeyFNPKDNUTOUSJOW-UHFFFAOYSA-N
XLogP3.70
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-fluorobenzenesulfonamide
CID 40797952
(2S)-2-(benzenesulfonamido)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 55942208
4-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzenesulfonamide
CID 46653959
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 55598113
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1H-imidazole-5-sulfonamide
CID 139001132
3,4-diethoxy-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 24541270
4-methoxy-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethylbenzenesulfonamide
CID 112823084
4-fluoro-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 25350052
2-(4-chlorophenyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 18103829
2-(4-bromophenyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 55457678
2,6-dichloro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 24541241
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-sulfonamide
CID 51274932

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide (CID 55627297) is N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide is COc1cc(OC)cc(C(NS(=O)(=O)c2ccc(CC(C)C)cc2)c2nccn2C)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide?
The InChIKey is FNPKDNUTOUSJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-16(2)12-17-6-8-21(9-7-17)31(27,28)25-22(23-24-10-11-26(23)3)18-13-19(29-4)15-20(14-18)30-5/h6-11,13-16,22,25H,12H2,1-5H3.
What are the key properties of N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide?
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide has a molecular weight of 443.57 g/mol, XLogP of 3.70, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 55627297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).