N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide

C21H23ClN4O3S — CID 43046126

IUPACN-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)NC(c2ccc(Cl)cc2)c2nccn2C)c1
InChIInChI=1S/C21H23ClN4O3S/c1-4-24-30(28,29)17-10-5-14(2)18(13-17)21(27)25-19(20-23-11-12-26(20)3)15-6-8-16(22)9-7-15/h5-13,19,24H,4H2,1-3H3,(H,25,27)
InChIKeyWGIAWEORYPKUSO-UHFFFAOYSA-N
MW446.96 g/mol
LogP3.20
Rot. Bonds7

About N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide

N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide (PubChem CID 43046126) has the molecular formula C21H23ClN4O3S and a molecular weight of 446.96 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide
PubChem CID43046126
Molecular FormulaC21H23ClN4O3S
Molecular Weight446.96 g/mol
Exact Mass446.12
IUPAC NameN-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)NC(c2ccc(Cl)cc2)c2nccn2C)c1
InChIInChI=1S/C21H23ClN4O3S/c1-4-24-30(28,29)17-10-5-14(2)18(13-17)21(27)25-19(20-23-11-12-26(20)3)15-6-8-16(22)9-7-15/h5-13,19,24H,4H2,1-3H3,(H,25,27)
InChIKeyWGIAWEORYPKUSO-UHFFFAOYSA-N
XLogP3.20
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.96
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide 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-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 25357824
2-methyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-5-piperidin-1-ylsulfonylbenzamide
CID 25468462
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 51559087
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 38079477
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 41041499
3-(ethylsulfamoyl)-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 37281759
5-(ethylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 27648413
N-[2-[[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 25358256
N-[1-(3,4-difluorophenyl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 43003466
N-[2-[[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 25358696
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-ethoxypyridine-3-carboxamide
CID 41037851
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4-diethoxybenzamide
CID 27034467

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide?
The IUPAC name of N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide (CID 43046126) is N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide.
What is the SMILES notation for N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide?
The canonical SMILES for N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide is CCNS(=O)(=O)c1ccc(C)c(C(=O)NC(c2ccc(Cl)cc2)c2nccn2C)c1.
What is the InChIKey of N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide?
The InChIKey is WGIAWEORYPKUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O3S/c1-4-24-30(28,29)17-10-5-14(2)18(13-17)21(27)25-19(20-23-11-12-26(20)3)15-6-8-16(22)9-7-15/h5-13,19,24H,4H2,1-3H3,(H,25,27).
What are the key properties of N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide?
N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide has a molecular weight of 446.96 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide is sourced from PubChem (CID 43046126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).