N-acetyl-N-[4-(4-methoxyphenyl)sulfonyl-1-[(4-methylphenyl)methyl]-3-methylsulfanylpyrazol-5-yl]acetamide

C23H25N3O5S2 — CID 22425418

IUPACN-acetyl-N-[4-(4-methoxyphenyl)sulfonyl-1-[(4-methylphenyl)methyl]-3-methylsulfanylpyrazol-5-yl]acetamide
SMILESCOc1ccc(S(=O)(=O)c2c(SC)nn(Cc3ccc(C)cc3)c2N(C(C)=O)C(C)=O)cc1
InChIInChI=1S/C23H25N3O5S2/c1-15-6-8-18(9-7-15)14-25-23(26(16(2)27)17(3)28)21(22(24-25)32-5)33(29,30)20-12-10-19(31-4)11-13-20/h6-13H,14H2,1-5H3
InChIKeyWSBPVFJOXRTYTH-UHFFFAOYSA-N
MW487.60 g/mol
LogP3.70
Rot. Bonds7

About N-acetyl-N-[4-(4-methoxyphenyl)sulfonyl-1-[(4-methylphenyl)methyl]-3-methylsulfanylpyrazol-5-yl]acetamide

N-acetyl-N-[4-(4-methoxyphenyl)sulfonyl-1-[(4-methylphenyl)methyl]-3-methylsulfanylpyrazol-5-yl]acetamide (PubChem CID 22425418) has the molecular formula C23H25N3O5S2 and a molecular weight of 487.60 g/mol. Its IUPAC name is N-acetyl-N-[4-(4-methoxyphenyl)sulfonyl-1-[(4-methylphenyl)methyl]-3-methylsulfanylpyrazol-5-yl]acetamide.

Molecular Properties

Compound NameN-acetyl-N-[4-(4-methoxyphenyl)sulfonyl-1-[(4-methylphenyl)methyl]-3-methylsulfanylpyrazol-5-yl]acetamide
PubChem CID22425418
Molecular FormulaC23H25N3O5S2
Molecular Weight487.60 g/mol
Exact Mass487.12
IUPAC NameN-acetyl-N-[4-(4-methoxyphenyl)sulfonyl-1-[(4-methylphenyl)methyl]-3-methylsulfanylpyrazol-5-yl]acetamide
SMILESCOc1ccc(S(=O)(=O)c2c(SC)nn(Cc3ccc(C)cc3)c2N(C(C)=O)C(C)=O)cc1
InChIInChI=1S/C23H25N3O5S2/c1-15-6-8-18(9-7-15)14-25-23(26(16(2)27)17(3)28)21(22(24-25)32-5)33(29,30)20-12-10-19(31-4)11-13-20/h6-13H,14H2,1-5H3
InChIKeyWSBPVFJOXRTYTH-UHFFFAOYSA-N
XLogP3.70
TPSA98.57 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-acetyl-N-[4-(4-methoxyphenyl)sulfonyl-1-[(4-methylphenyl)methyl]-3-methylsulfanylpyrazol-5-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-[5-amino-4-(4-methylphenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 50790440
1-(4-methoxyphenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazole
CID 175729102
2-[5-amino-4-(4-methylphenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-(2-chlorophenyl)acetamide
CID 50790506
(2S)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonyl-2-(4-methylsulfanylphenyl)-2H-pyrrol-5-one
CID 95052584
1,5-bis[4-(4-methoxyphenyl)sulfonyl-3,5-dimethylphenyl]pentan-3-one
CID 174854090
[4-(4-methoxyphenyl)sulfonylphenyl]methanol
CID 70863002
N-[2-(4-methoxyphenyl)ethyl]-N,4-dimethylbenzenesulfonamide
CID 110288005
2,2-dimethylpropane;methane;1-methoxy-4-[(4-methoxyphenyl)methyl]benzene;1-methoxy-4-(4-methoxyphenyl)sulfonylbenzene;methylsulfonylmethane;propan-2-one
CID 159572893
N-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 9208102
N-(4-methoxyphenyl)-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 9042194
2-(4-methoxyphenyl)-5-(4-methylphenyl)sulfonyltetrazole
CID 170913262
1-[4-bromo-1-[(4-methoxyphenyl)methyl]-3-methylpyrazol-5-yl]ethanone
CID 90162740

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[4-(4-methoxyphenyl)sulfonyl-1-[(4-methylphenyl)methyl]-3-methylsulfanylpyrazol-5-yl]acetamide?
The IUPAC name of N-acetyl-N-[4-(4-methoxyphenyl)sulfonyl-1-[(4-methylphenyl)methyl]-3-methylsulfanylpyrazol-5-yl]acetamide (CID 22425418) is N-acetyl-N-[4-(4-methoxyphenyl)sulfonyl-1-[(4-methylphenyl)methyl]-3-methylsulfanylpyrazol-5-yl]acetamide.
What is the SMILES notation for N-acetyl-N-[4-(4-methoxyphenyl)sulfonyl-1-[(4-methylphenyl)methyl]-3-methylsulfanylpyrazol-5-yl]acetamide?
The canonical SMILES for N-acetyl-N-[4-(4-methoxyphenyl)sulfonyl-1-[(4-methylphenyl)methyl]-3-methylsulfanylpyrazol-5-yl]acetamide is COc1ccc(S(=O)(=O)c2c(SC)nn(Cc3ccc(C)cc3)c2N(C(C)=O)C(C)=O)cc1.
What is the InChIKey of N-acetyl-N-[4-(4-methoxyphenyl)sulfonyl-1-[(4-methylphenyl)methyl]-3-methylsulfanylpyrazol-5-yl]acetamide?
The InChIKey is WSBPVFJOXRTYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5S2/c1-15-6-8-18(9-7-15)14-25-23(26(16(2)27)17(3)28)21(22(24-25)32-5)33(29,30)20-12-10-19(31-4)11-13-20/h6-13H,14H2,1-5H3.
What are the key properties of N-acetyl-N-[4-(4-methoxyphenyl)sulfonyl-1-[(4-methylphenyl)methyl]-3-methylsulfanylpyrazol-5-yl]acetamide?
N-acetyl-N-[4-(4-methoxyphenyl)sulfonyl-1-[(4-methylphenyl)methyl]-3-methylsulfanylpyrazol-5-yl]acetamide has a molecular weight of 487.60 g/mol, XLogP of 3.70, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[4-(4-methoxyphenyl)sulfonyl-1-[(4-methylphenyl)methyl]-3-methylsulfanylpyrazol-5-yl]acetamide is sourced from PubChem (CID 22425418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).