5-methyl-4-[[3-(thiophen-2-ylsulfonylamino)benzoyl]amino]-1H-pyrazole-3-carboxamide

C16H15N5O4S2 — CID 56571363

IUPAC5-methyl-4-[[3-(thiophen-2-ylsulfonylamino)benzoyl]amino]-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(N)=O)c1NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C16H15N5O4S2/c1-9-13(14(15(17)22)20-19-9)18-16(23)10-4-2-5-11(8-10)21-27(24,25)12-6-3-7-26-12/h2-8,21H,1H3,(H2,17,22)(H,18,23)(H,19,20)
InChIKeyGILXYTGKAPAKHJ-UHFFFAOYSA-N
MW405.46 g/mol
LogP1.93
Rot. Bonds6

About 5-methyl-4-[[3-(thiophen-2-ylsulfonylamino)benzoyl]amino]-1H-pyrazole-3-carboxamide

5-methyl-4-[[3-(thiophen-2-ylsulfonylamino)benzoyl]amino]-1H-pyrazole-3-carboxamide (PubChem CID 56571363) has the molecular formula C16H15N5O4S2 and a molecular weight of 405.46 g/mol. Its IUPAC name is 5-methyl-4-[[3-(thiophen-2-ylsulfonylamino)benzoyl]amino]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-4-[[3-(thiophen-2-ylsulfonylamino)benzoyl]amino]-1H-pyrazole-3-carboxamide
PubChem CID56571363
Molecular FormulaC16H15N5O4S2
Molecular Weight405.46 g/mol
Exact Mass405.06
IUPAC Name5-methyl-4-[[3-(thiophen-2-ylsulfonylamino)benzoyl]amino]-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(N)=O)c1NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C16H15N5O4S2/c1-9-13(14(15(17)22)20-19-9)18-16(23)10-4-2-5-11(8-10)21-27(24,25)12-6-3-7-26-12/h2-8,21H,1H3,(H2,17,22)(H,18,23)(H,19,20)
InChIKeyGILXYTGKAPAKHJ-UHFFFAOYSA-N
XLogP1.93
TPSA147.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 51.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dimethylphenyl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55786528
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 46492108
N-(2-fluoro-4-methylphenyl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55914376
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55793963
N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 56543508
N-[3-(1,3-thiazol-2-yl)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55991234
N-(1-hydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 78896710
3-(thiophen-2-ylsulfonylamino)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
CID 78897587
N-pentyl-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55786585
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 46487765
N-(3-amino-2-methylpropyl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
CID 119995200
N-[2-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 120826976

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[[3-(thiophen-2-ylsulfonylamino)benzoyl]amino]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-4-[[3-(thiophen-2-ylsulfonylamino)benzoyl]amino]-1H-pyrazole-3-carboxamide (CID 56571363) is 5-methyl-4-[[3-(thiophen-2-ylsulfonylamino)benzoyl]amino]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-4-[[3-(thiophen-2-ylsulfonylamino)benzoyl]amino]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-4-[[3-(thiophen-2-ylsulfonylamino)benzoyl]amino]-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(N)=O)c1NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of 5-methyl-4-[[3-(thiophen-2-ylsulfonylamino)benzoyl]amino]-1H-pyrazole-3-carboxamide?
The InChIKey is GILXYTGKAPAKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O4S2/c1-9-13(14(15(17)22)20-19-9)18-16(23)10-4-2-5-11(8-10)21-27(24,25)12-6-3-7-26-12/h2-8,21H,1H3,(H2,17,22)(H,18,23)(H,19,20).
What are the key properties of 5-methyl-4-[[3-(thiophen-2-ylsulfonylamino)benzoyl]amino]-1H-pyrazole-3-carboxamide?
5-methyl-4-[[3-(thiophen-2-ylsulfonylamino)benzoyl]amino]-1H-pyrazole-3-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 1.93, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[[3-(thiophen-2-ylsulfonylamino)benzoyl]amino]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56571363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).