N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide

C20H18ClN5O3S — CID 55543607

IUPACN-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide
SMILESCc1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C20H18ClN5O3S/c1-14-10-19(26(24-14)17-5-3-4-16(21)11-17)23-20(27)13-25(2)30(28,29)18-8-6-15(12-22)7-9-18/h3-11H,13H2,1-2H3,(H,23,27)
InChIKeyFJRHJZLRDBJLAS-UHFFFAOYSA-N
MW443.92 g/mol
LogP2.96
Rot. Bonds6

About N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide

N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide (PubChem CID 55543607) has the molecular formula C20H18ClN5O3S and a molecular weight of 443.92 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide
PubChem CID55543607
Molecular FormulaC20H18ClN5O3S
Molecular Weight443.92 g/mol
Exact Mass443.08
IUPAC NameN-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide
SMILESCc1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C20H18ClN5O3S/c1-14-10-19(26(24-14)17-5-3-4-16(21)11-17)23-20(27)13-25(2)30(28,29)18-8-6-15(12-22)7-9-18/h3-11H,13H2,1-2H3,(H,23,27)
InChIKeyFJRHJZLRDBJLAS-UHFFFAOYSA-N
XLogP2.96
TPSA108.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.92
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide 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

2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 38936658
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide
CID 55548337
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide
CID 55503346
2-amino-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 110459429
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(3,5-dichlorophenyl)acetamide
CID 31763987
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]acetamide
CID 55534083
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(4-cyanophenoxy)propanamide
CID 55479906
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 24664110
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide
CID 32897387
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 112788270
2-(4-aminophenyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 110452122
2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 55635543

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide (CID 55543607) is N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide is Cc1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)n(-c2cccc(Cl)c2)n1.
What is the InChIKey of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide?
The InChIKey is FJRHJZLRDBJLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O3S/c1-14-10-19(26(24-14)17-5-3-4-16(21)11-17)23-20(27)13-25(2)30(28,29)18-8-6-15(12-22)7-9-18/h3-11H,13H2,1-2H3,(H,23,27).
What are the key properties of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide?
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide has a molecular weight of 443.92 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 55543607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).