2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]-N-(1-phenylethyl)acetamide

C22H26N4O3S — CID 20855710

IUPAC2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]-N-(1-phenylethyl)acetamide
SMILESCc1ccc(N(CC(=O)NC(C)c2ccccc2)S(=O)(=O)c2c(C)n[nH]c2C)cc1
InChIInChI=1S/C22H26N4O3S/c1-15-10-12-20(13-11-15)26(30(28,29)22-17(3)24-25-18(22)4)14-21(27)23-16(2)19-8-6-5-7-9-19/h5-13,16H,14H2,1-4H3,(H,23,27)(H,24,25)
InChIKeyBIMDWWKWELRPKV-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.41
Rot. Bonds7

About 2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]-N-(1-phenylethyl)acetamide

2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]-N-(1-phenylethyl)acetamide (PubChem CID 20855710) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is 2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]-N-(1-phenylethyl)acetamide
PubChem CID20855710
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC Name2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]-N-(1-phenylethyl)acetamide
SMILESCc1ccc(N(CC(=O)NC(C)c2ccccc2)S(=O)(=O)c2c(C)n[nH]c2C)cc1
InChIInChI=1S/C22H26N4O3S/c1-15-10-12-20(13-11-15)26(30(28,29)22-17(3)24-25-18(22)4)14-21(27)23-16(2)19-8-6-5-7-9-19/h5-13,16H,14H2,1-4H3,(H,23,27)(H,24,25)
InChIKeyBIMDWWKWELRPKV-UHFFFAOYSA-N
XLogP3.41
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]-N-(1-phenylethyl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]-N-(1-phenylethyl)acetamide (CID 20855710) is 2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]-N-(1-phenylethyl)acetamide is Cc1ccc(N(CC(=O)NC(C)c2ccccc2)S(=O)(=O)c2c(C)n[nH]c2C)cc1.
What is the InChIKey of 2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]-N-(1-phenylethyl)acetamide?
The InChIKey is BIMDWWKWELRPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-15-10-12-20(13-11-15)26(30(28,29)22-17(3)24-25-18(22)4)14-21(27)23-16(2)19-8-6-5-7-9-19/h5-13,16H,14H2,1-4H3,(H,23,27)(H,24,25).
What are the key properties of 2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]-N-(1-phenylethyl)acetamide?
2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]-N-(1-phenylethyl)acetamide has a molecular weight of 426.54 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 20855710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).