N-[3-[(2,5-dimethylpyrazol-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide

C17H16N4O2S — CID 46412624

IUPACN-[3-[(2,5-dimethylpyrazol-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)n(C)n1
InChIInChI=1S/C17H16N4O2S/c1-11-9-15(21(2)20-11)19-16(22)12-5-3-6-13(10-12)18-17(23)14-7-4-8-24-14/h3-10H,1-2H3,(H,18,23)(H,19,22)
InChIKeyIVPKHXOJWSWIHD-UHFFFAOYSA-N
MW340.41 g/mol
LogP3.29
Rot. Bonds4

About N-[3-[(2,5-dimethylpyrazol-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide

N-[3-[(2,5-dimethylpyrazol-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 46412624) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is N-[3-[(2,5-dimethylpyrazol-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2,5-dimethylpyrazol-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID46412624
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC NameN-[3-[(2,5-dimethylpyrazol-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)n(C)n1
InChIInChI=1S/C17H16N4O2S/c1-11-9-15(21(2)20-11)19-16(22)12-5-3-6-13(10-12)18-17(23)14-7-4-8-24-14/h3-10H,1-2H3,(H,18,23)(H,19,22)
InChIKeyIVPKHXOJWSWIHD-UHFFFAOYSA-N
XLogP3.29
TPSA76.02 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 ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluorophenyl)-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 51999140
N-[3-[[4-(1,2,4-triazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 37121591
3-(benzenesulfonamido)-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 37044059
1-methyl-N-pyridin-3-yl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 51999241
N-(3-carbamothioylphenyl)thiophene-2-carboxamide
CID 24696686
N-(3-acetylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 61059268
N-[3-[[4-(3-methylbutanoylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 33027717
N-[3-[(4-ethylsulfonylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 18140938
3-(chloromethyl)-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 43156305
N-[3-[[3-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55831993
N-[3-[(3-propoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 34368537
N-[3-(quinolin-8-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27990641

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,5-dimethylpyrazol-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[(2,5-dimethylpyrazol-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide (CID 46412624) is N-[3-[(2,5-dimethylpyrazol-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[(2,5-dimethylpyrazol-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[(2,5-dimethylpyrazol-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide is Cc1cc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)n(C)n1.
What is the InChIKey of N-[3-[(2,5-dimethylpyrazol-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is IVPKHXOJWSWIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-11-9-15(21(2)20-11)19-16(22)12-5-3-6-13(10-12)18-17(23)14-7-4-8-24-14/h3-10H,1-2H3,(H,18,23)(H,19,22).
What are the key properties of N-[3-[(2,5-dimethylpyrazol-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide?
N-[3-[(2,5-dimethylpyrazol-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,5-dimethylpyrazol-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 46412624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).