2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]acetamide

C23H26N4O4S — CID 55534083

IUPAC2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]acetamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(C)nn2-c2cc(C)cc(C)c2)cc1
InChIInChI=1S/C23H26N4O4S/c1-15-10-16(2)12-20(11-15)27-22(13-17(3)25-27)24-23(29)14-26(5)32(30,31)21-8-6-19(7-9-21)18(4)28/h6-13H,14H2,1-5H3,(H,24,29)
InChIKeyLEGKIVVVPUNXAA-UHFFFAOYSA-N
MW454.55 g/mol
LogP3.26
Rot. Bonds7

About 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]acetamide

2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]acetamide (PubChem CID 55534083) has the molecular formula C23H26N4O4S and a molecular weight of 454.55 g/mol. Its IUPAC name is 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]acetamide
PubChem CID55534083
Molecular FormulaC23H26N4O4S
Molecular Weight454.55 g/mol
Exact Mass454.17
IUPAC Name2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]acetamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(C)nn2-c2cc(C)cc(C)c2)cc1
InChIInChI=1S/C23H26N4O4S/c1-15-10-16(2)12-20(11-15)27-22(13-17(3)25-27)24-23(29)14-26(5)32(30,31)21-8-6-19(7-9-21)18(4)28/h6-13H,14H2,1-5H3,(H,24,29)
InChIKeyLEGKIVVVPUNXAA-UHFFFAOYSA-N
XLogP3.26
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]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
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide
CID 55543607
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide
CID 55503346
2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 55635543
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide
CID 55548337
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 30599818
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 43052185
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-tert-butylphenyl)acetamide
CID 7919004
N-[2-[[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 75466540
N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-(6-methyl-3-pyridinyl)acetamide
CID 51123237
N-[3-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-4-methylphenyl]propanamide
CID 55725015
methyl 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
CID 3685152

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]acetamide?
The IUPAC name of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]acetamide (CID 55534083) is 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]acetamide.
What is the SMILES notation for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]acetamide?
The canonical SMILES for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]acetamide is CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(C)nn2-c2cc(C)cc(C)c2)cc1.
What is the InChIKey of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]acetamide?
The InChIKey is LEGKIVVVPUNXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4S/c1-15-10-16(2)12-20(11-15)27-22(13-17(3)25-27)24-23(29)14-26(5)32(30,31)21-8-6-19(7-9-21)18(4)28/h6-13H,14H2,1-5H3,(H,24,29).
What are the key properties of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]acetamide?
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]acetamide has a molecular weight of 454.55 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]acetamide is sourced from PubChem (CID 55534083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).