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

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Related Compounds

3-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122087413
2-chloro-N-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-4,5-difluorobenzamide
CID 99696284
N-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide
CID 99696822
5-(acetamidomethyl)-N-(2-tert-butylpyrimidin-5-yl)thiophene-2-carboxamide
CID 71936648
2-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]amino]propanamide
CID 86802649
1-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-3-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]urea
CID 166319052
1-(2,5-dimethylphenyl)-5-methyl-N-methylsulfonylpyrazole-4-carboxamide
CID 146154766
N-[5-[(dimethylamino)methyl]-2-methylphenyl]-1-(2,5-dimethylphenyl)-5-methylpyrazole-4-carboxamide
CID 99612955
5-(acetamidomethyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]thiophene-2-carboxamide
CID 167619937
1-(2,5-dimethylphenyl)-5-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-amine
CID 167900039
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 55520765
N-[[5-[2-(2-chloro-5-methylphenoxy)acetyl]thiophen-2-yl]methyl]acetamide
CID 78800846

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).