2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]thiophene-3-carboxamide

C17H16N4O2S — CID 2118395

IUPAC2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]thiophene-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3sccc3C(N)=O)cc2)n1
InChIInChI=1S/C17H16N4O2S/c1-10-9-11(2)21(20-10)13-5-3-12(4-6-13)16(23)19-17-14(15(18)22)7-8-24-17/h3-9H,1-2H3,(H2,18,22)(H,19,23)
InChIKeyFMKKPJVHKGIQDZ-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.90
Rot. Bonds4

About 2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]thiophene-3-carboxamide

2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]thiophene-3-carboxamide (PubChem CID 2118395) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]thiophene-3-carboxamide
PubChem CID2118395
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]thiophene-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3sccc3C(N)=O)cc2)n1
InChIInChI=1S/C17H16N4O2S/c1-10-9-11(2)21(20-10)13-5-3-12(4-6-13)16(23)19-17-14(15(18)22)7-8-24-17/h3-9H,1-2H3,(H2,18,22)(H,19,23)
InChIKeyFMKKPJVHKGIQDZ-UHFFFAOYSA-N
XLogP2.90
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]thiophene-3-carboxamide (CID 2118395) is 2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]thiophene-3-carboxamide is Cc1cc(C)n(-c2ccc(C(=O)Nc3sccc3C(N)=O)cc2)n1.
What is the InChIKey of 2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]thiophene-3-carboxamide?
The InChIKey is FMKKPJVHKGIQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-10-9-11(2)21(20-10)13-5-3-12(4-6-13)16(23)19-17-14(15(18)22)7-8-24-17/h3-9H,1-2H3,(H2,18,22)(H,19,23).
What are the key properties of 2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]thiophene-3-carboxamide?
2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]thiophene-3-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 2118395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).