1-(4-chlorophenyl)-3-methyl-N-[2-(thiophen-2-ylsulfonylamino)phenyl]thieno[3,2-d]pyrazole-5-carboxamide

C23H17ClN4O3S3 — CID 2382255

IUPAC1-(4-chlorophenyl)-3-methyl-N-[2-(thiophen-2-ylsulfonylamino)phenyl]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)Nc3ccccc3NS(=O)(=O)c3cccs3)cc12
InChIInChI=1S/C23H17ClN4O3S3/c1-14-17-13-20(33-23(17)28(26-14)16-10-8-15(24)9-11-16)22(29)25-18-5-2-3-6-19(18)27-34(30,31)21-7-4-12-32-21/h2-13,27H,1H3,(H,25,29)
InChIKeyAXGZXNNXCLDWBI-UHFFFAOYSA-N
MW529.07 g/mol
LogP6.16
Rot. Bonds6

About 1-(4-chlorophenyl)-3-methyl-N-[2-(thiophen-2-ylsulfonylamino)phenyl]thieno[3,2-d]pyrazole-5-carboxamide

1-(4-chlorophenyl)-3-methyl-N-[2-(thiophen-2-ylsulfonylamino)phenyl]thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 2382255) has the molecular formula C23H17ClN4O3S3 and a molecular weight of 529.07 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-methyl-N-[2-(thiophen-2-ylsulfonylamino)phenyl]thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-methyl-N-[2-(thiophen-2-ylsulfonylamino)phenyl]thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID2382255
Molecular FormulaC23H17ClN4O3S3
Molecular Weight529.07 g/mol
Exact Mass528.02
IUPAC Name1-(4-chlorophenyl)-3-methyl-N-[2-(thiophen-2-ylsulfonylamino)phenyl]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)Nc3ccccc3NS(=O)(=O)c3cccs3)cc12
InChIInChI=1S/C23H17ClN4O3S3/c1-14-17-13-20(33-23(17)28(26-14)16-10-8-15(24)9-11-16)22(29)25-18-5-2-3-6-19(18)27-34(30,31)21-7-4-12-32-21/h2-13,27H,1H3,(H,25,29)
InChIKeyAXGZXNNXCLDWBI-UHFFFAOYSA-N
XLogP6.16
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.07
LogP ≤ 56.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 5159788
1-(4-chlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 40651727
N-(2-ethylphenyl)-3-methyl-1-(4-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 2006111
1-(4-chlorophenyl)-N-cyclopropyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 947337
N-[5-chloro-2-[(2-fluorophenyl)sulfonylamino]phenyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 38872398
1-(4-chlorophenyl)-3-methyl-N-(2-propan-2-ylpyrazol-3-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 112793473
3-methyl-N'-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide
CID 3226614
N-[5-[(4-chlorophenyl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 1468170
N-(3-aminopropyl)-1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 119408170
1-(4-chlorophenyl)-3-methyl-N-[(1S,2S)-1-pyrrolidin-1-ium-1-yl-1-thiophen-2-ylpropan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide
CID 2381654
1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 5176573
1-(4-chlorophenyl)-N-[(2R)-1-methoxypropan-2-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 2410323

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-methyl-N-[2-(thiophen-2-ylsulfonylamino)phenyl]thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-3-methyl-N-[2-(thiophen-2-ylsulfonylamino)phenyl]thieno[3,2-d]pyrazole-5-carboxamide (CID 2382255) is 1-(4-chlorophenyl)-3-methyl-N-[2-(thiophen-2-ylsulfonylamino)phenyl]thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-3-methyl-N-[2-(thiophen-2-ylsulfonylamino)phenyl]thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-3-methyl-N-[2-(thiophen-2-ylsulfonylamino)phenyl]thieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)Nc3ccccc3NS(=O)(=O)c3cccs3)cc12.
What is the InChIKey of 1-(4-chlorophenyl)-3-methyl-N-[2-(thiophen-2-ylsulfonylamino)phenyl]thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is AXGZXNNXCLDWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN4O3S3/c1-14-17-13-20(33-23(17)28(26-14)16-10-8-15(24)9-11-16)22(29)25-18-5-2-3-6-19(18)27-34(30,31)21-7-4-12-32-21/h2-13,27H,1H3,(H,25,29).
What are the key properties of 1-(4-chlorophenyl)-3-methyl-N-[2-(thiophen-2-ylsulfonylamino)phenyl]thieno[3,2-d]pyrazole-5-carboxamide?
1-(4-chlorophenyl)-3-methyl-N-[2-(thiophen-2-ylsulfonylamino)phenyl]thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 529.07 g/mol, XLogP of 6.16, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-methyl-N-[2-(thiophen-2-ylsulfonylamino)phenyl]thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 2382255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).