5-(acetamidomethyl)-N-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]thiophene-2-carboxamide

C20H22N4O2S — CID 99696230

IUPAC5-(acetamidomethyl)-N-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]thiophene-2-carboxamide
SMILESCC(=O)NCc1ccc(C(=O)Nc2cnn(-c3cc(C)ccc3C)c2C)s1
InChIInChI=1S/C20H22N4O2S/c1-12-5-6-13(2)18(9-12)24-14(3)17(11-22-24)23-20(26)19-8-7-16(27-19)10-21-15(4)25/h5-9,11H,10H2,1-4H3,(H,21,25)(H,23,26)
InChIKeyHZWKYIHUXWOWKV-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.75
Rot. Bonds5

About 5-(acetamidomethyl)-N-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]thiophene-2-carboxamide

5-(acetamidomethyl)-N-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]thiophene-2-carboxamide (PubChem CID 99696230) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is 5-(acetamidomethyl)-N-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(acetamidomethyl)-N-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]thiophene-2-carboxamide
PubChem CID99696230
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name5-(acetamidomethyl)-N-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]thiophene-2-carboxamide
SMILESCC(=O)NCc1ccc(C(=O)Nc2cnn(-c3cc(C)ccc3C)c2C)s1
InChIInChI=1S/C20H22N4O2S/c1-12-5-6-13(2)18(9-12)24-14(3)17(11-22-24)23-20(26)19-8-7-16(27-19)10-21-15(4)25/h5-9,11H,10H2,1-4H3,(H,21,25)(H,23,26)
InChIKeyHZWKYIHUXWOWKV-UHFFFAOYSA-N
XLogP3.75
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(acetamidomethyl)-N-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]thiophene-2-carboxamide 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 5-(acetamidomethyl)-N-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]thiophene-2-carboxamide?
The IUPAC name of 5-(acetamidomethyl)-N-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]thiophene-2-carboxamide (CID 99696230) is 5-(acetamidomethyl)-N-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(acetamidomethyl)-N-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-(acetamidomethyl)-N-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]thiophene-2-carboxamide is CC(=O)NCc1ccc(C(=O)Nc2cnn(-c3cc(C)ccc3C)c2C)s1.
What is the InChIKey of 5-(acetamidomethyl)-N-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]thiophene-2-carboxamide?
The InChIKey is HZWKYIHUXWOWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-12-5-6-13(2)18(9-12)24-14(3)17(11-22-24)23-20(26)19-8-7-16(27-19)10-21-15(4)25/h5-9,11H,10H2,1-4H3,(H,21,25)(H,23,26).
What are the key properties of 5-(acetamidomethyl)-N-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]thiophene-2-carboxamide?
5-(acetamidomethyl)-N-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]thiophene-2-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(acetamidomethyl)-N-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 99696230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).