N-(benzenesulfonyl)-1-[[2-chloro-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-2-methylimidazole-4-carboxamide

C26H26ClN5O4S — CID 57112139

IUPACN-(benzenesulfonyl)-1-[[2-chloro-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-2-methylimidazole-4-carboxamide
SMILESCc1nc(C(=O)NS(=O)(=O)c2ccccc2)cn1Cc1ccc(OCCN(C)c2ccccn2)cc1Cl
InChIInChI=1S/C26H26ClN5O4S/c1-19-29-24(26(33)30-37(34,35)22-8-4-3-5-9-22)18-32(19)17-20-11-12-21(16-23(20)27)36-15-14-31(2)25-10-6-7-13-28-25/h3-13,16,18H,14-15,17H2,1-2H3,(H,30,33)
InChIKeyPAUKXAQDIWNPMO-UHFFFAOYSA-N
MW540.05 g/mol
LogP3.92
Rot. Bonds10

About N-(benzenesulfonyl)-1-[[2-chloro-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-2-methylimidazole-4-carboxamide

N-(benzenesulfonyl)-1-[[2-chloro-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-2-methylimidazole-4-carboxamide (PubChem CID 57112139) has the molecular formula C26H26ClN5O4S and a molecular weight of 540.05 g/mol. Its IUPAC name is N-(benzenesulfonyl)-1-[[2-chloro-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-2-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-1-[[2-chloro-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-2-methylimidazole-4-carboxamide
PubChem CID57112139
Molecular FormulaC26H26ClN5O4S
Molecular Weight540.05 g/mol
Exact Mass539.14
IUPAC NameN-(benzenesulfonyl)-1-[[2-chloro-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-2-methylimidazole-4-carboxamide
SMILESCc1nc(C(=O)NS(=O)(=O)c2ccccc2)cn1Cc1ccc(OCCN(C)c2ccccn2)cc1Cl
InChIInChI=1S/C26H26ClN5O4S/c1-19-29-24(26(33)30-37(34,35)22-8-4-3-5-9-22)18-32(19)17-20-11-12-21(16-23(20)27)36-15-14-31(2)25-10-6-7-13-28-25/h3-13,16,18H,14-15,17H2,1-2H3,(H,30,33)
InChIKeyPAUKXAQDIWNPMO-UHFFFAOYSA-N
XLogP3.92
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.05
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(benzenesulfonyl)-1-[[2-chloro-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-2-methylimidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(benzenesulfonyl)-1-[(2-chloro-4-methoxyphenyl)methyl]-2-methylimidazole-4-carboxamide
CID 57001214
N-(benzenesulfonyl)-1-[[2-chloro-4-(2-methylpropyl)phenyl]methyl]-2-methylimidazole-4-carboxamide
CID 57024268
methyl 1-[[2-chloro-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate
CID 22388281
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
3-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide
CID 22388186
N-(5-chlorothiophen-2-yl)sulfonyl-1-[(2,4-dichlorophenyl)methyl]-2-methylimidazole-4-carboxamide
CID 57171958
3-[[2-chloro-4-(2-phenylethynyl)phenyl]methyl]-2,7-dimethyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide
CID 22485070
N,N-dimethyl-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]benzenesulfonamide
CID 75375799
N-(benzenesulfonyl)-3-[(4-bromo-2-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxamide
CID 22388532
3-[(2-chloro-4-propoxyphenyl)methyl]-2-methyl-N-(4-methylphenyl)sulfonylbenzimidazole-5-carboxamide
CID 22508787
sodium (3S)-2-benzyl-7-[2-[methyl(pyridin-2-yl)amino]ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 24851390

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-1-[[2-chloro-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-2-methylimidazole-4-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-1-[[2-chloro-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-2-methylimidazole-4-carboxamide (CID 57112139) is N-(benzenesulfonyl)-1-[[2-chloro-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-2-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-1-[[2-chloro-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-2-methylimidazole-4-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-1-[[2-chloro-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-2-methylimidazole-4-carboxamide is Cc1nc(C(=O)NS(=O)(=O)c2ccccc2)cn1Cc1ccc(OCCN(C)c2ccccn2)cc1Cl.
What is the InChIKey of N-(benzenesulfonyl)-1-[[2-chloro-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-2-methylimidazole-4-carboxamide?
The InChIKey is PAUKXAQDIWNPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN5O4S/c1-19-29-24(26(33)30-37(34,35)22-8-4-3-5-9-22)18-32(19)17-20-11-12-21(16-23(20)27)36-15-14-31(2)25-10-6-7-13-28-25/h3-13,16,18H,14-15,17H2,1-2H3,(H,30,33).
What are the key properties of N-(benzenesulfonyl)-1-[[2-chloro-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-2-methylimidazole-4-carboxamide?
N-(benzenesulfonyl)-1-[[2-chloro-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-2-methylimidazole-4-carboxamide has a molecular weight of 540.05 g/mol, XLogP of 3.92, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-1-[[2-chloro-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-2-methylimidazole-4-carboxamide is sourced from PubChem (CID 57112139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).