N-(benzenesulfonyl)-1-[[2-chloro-4-(2-methylpropyl)phenyl]methyl]-2-methylimidazole-4-carboxamide

C22H24ClN3O3S — CID 57024268

IUPACN-(benzenesulfonyl)-1-[[2-chloro-4-(2-methylpropyl)phenyl]methyl]-2-methylimidazole-4-carboxamide
SMILESCc1nc(C(=O)NS(=O)(=O)c2ccccc2)cn1Cc1ccc(CC(C)C)cc1Cl
InChIInChI=1S/C22H24ClN3O3S/c1-15(2)11-17-9-10-18(20(23)12-17)13-26-14-21(24-16(26)3)22(27)25-30(28,29)19-7-5-4-6-8-19/h4-10,12,14-15H,11,13H2,1-3H3,(H,25,27)
InChIKeySQUHWEVHOHNSLR-UHFFFAOYSA-N
MW445.97 g/mol
LogP4.21
Rot. Bonds7

About N-(benzenesulfonyl)-1-[[2-chloro-4-(2-methylpropyl)phenyl]methyl]-2-methylimidazole-4-carboxamide

N-(benzenesulfonyl)-1-[[2-chloro-4-(2-methylpropyl)phenyl]methyl]-2-methylimidazole-4-carboxamide (PubChem CID 57024268) has the molecular formula C22H24ClN3O3S and a molecular weight of 445.97 g/mol. Its IUPAC name is N-(benzenesulfonyl)-1-[[2-chloro-4-(2-methylpropyl)phenyl]methyl]-2-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-1-[[2-chloro-4-(2-methylpropyl)phenyl]methyl]-2-methylimidazole-4-carboxamide
PubChem CID57024268
Molecular FormulaC22H24ClN3O3S
Molecular Weight445.97 g/mol
Exact Mass445.12
IUPAC NameN-(benzenesulfonyl)-1-[[2-chloro-4-(2-methylpropyl)phenyl]methyl]-2-methylimidazole-4-carboxamide
SMILESCc1nc(C(=O)NS(=O)(=O)c2ccccc2)cn1Cc1ccc(CC(C)C)cc1Cl
InChIInChI=1S/C22H24ClN3O3S/c1-15(2)11-17-9-10-18(20(23)12-17)13-26-14-21(24-16(26)3)22(27)25-30(28,29)19-7-5-4-6-8-19/h4-10,12,14-15H,11,13H2,1-3H3,(H,25,27)
InChIKeySQUHWEVHOHNSLR-UHFFFAOYSA-N
XLogP4.21
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.97
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(benzenesulfonyl)-1-[(2-chloro-4-methoxyphenyl)methyl]-2-methylimidazole-4-carboxamide
CID 57001214
N-(benzenesulfonyl)-1-[(2-bromo-4-chlorophenyl)methyl]-2-methylimidazole-4-carboxamide
CID 57191039
N-(benzenesulfonyl)-1-[(2,5-dichlorothiophen-3-yl)methyl]-2-methylimidazole-4-carboxamide
CID 57055043
N-(benzenesulfonyl)-1-[[2-chloro-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-2-methylimidazole-4-carboxamide
CID 57112139
N-(5-chlorothiophen-2-yl)sulfonyl-1-[(2,4-dichlorophenyl)methyl]-2-methylimidazole-4-carboxamide
CID 57171958
N-(benzenesulfonyl)-3-[(4-bromo-2-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxamide
CID 22388532
N-(benzenesulfonyl)-2-(2-chlorophenyl)-1-methylimidazole-4-carboxamide
CID 155116240
N-(benzenesulfonyl)-3-[(2-chloro-4-nitrophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxamide
CID 22388457
3-[[2-chloro-4-(2-phenylethynyl)phenyl]methyl]-2,7-dimethyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide
CID 22485070
3-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide
CID 22388186
N-(benzenesulfonyl)-3-[3-[(2-chlorophenyl)methyl]-2-methylbenzimidazol-5-yl]propanamide
CID 18681167
N-(benzenesulfonyl)-2-(2-chloro-6-fluorophenyl)-1-methylimidazole-4-carboxamide
CID 147509340

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-1-[[2-chloro-4-(2-methylpropyl)phenyl]methyl]-2-methylimidazole-4-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-1-[[2-chloro-4-(2-methylpropyl)phenyl]methyl]-2-methylimidazole-4-carboxamide (CID 57024268) is N-(benzenesulfonyl)-1-[[2-chloro-4-(2-methylpropyl)phenyl]methyl]-2-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-1-[[2-chloro-4-(2-methylpropyl)phenyl]methyl]-2-methylimidazole-4-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-1-[[2-chloro-4-(2-methylpropyl)phenyl]methyl]-2-methylimidazole-4-carboxamide is Cc1nc(C(=O)NS(=O)(=O)c2ccccc2)cn1Cc1ccc(CC(C)C)cc1Cl.
What is the InChIKey of N-(benzenesulfonyl)-1-[[2-chloro-4-(2-methylpropyl)phenyl]methyl]-2-methylimidazole-4-carboxamide?
The InChIKey is SQUHWEVHOHNSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O3S/c1-15(2)11-17-9-10-18(20(23)12-17)13-26-14-21(24-16(26)3)22(27)25-30(28,29)19-7-5-4-6-8-19/h4-10,12,14-15H,11,13H2,1-3H3,(H,25,27).
What are the key properties of N-(benzenesulfonyl)-1-[[2-chloro-4-(2-methylpropyl)phenyl]methyl]-2-methylimidazole-4-carboxamide?
N-(benzenesulfonyl)-1-[[2-chloro-4-(2-methylpropyl)phenyl]methyl]-2-methylimidazole-4-carboxamide has a molecular weight of 445.97 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-1-[[2-chloro-4-(2-methylpropyl)phenyl]methyl]-2-methylimidazole-4-carboxamide is sourced from PubChem (CID 57024268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).