N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

C22H22N4O3S2 — CID 5019286

IUPACN-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C22H22N4O3S2/c1-14-10-11-16(12-20(14)31(28,29)25(3)4)23-21(27)19-13-18-15(2)24-26(22(18)30-19)17-8-6-5-7-9-17/h5-13H,1-4H3,(H,23,27)
InChIKeyMELFVSBAWKRXRK-UHFFFAOYSA-N
MW454.58 g/mol
LogP4.21
Rot. Bonds5

About N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 5019286) has the molecular formula C22H22N4O3S2 and a molecular weight of 454.58 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID5019286
Molecular FormulaC22H22N4O3S2
Molecular Weight454.58 g/mol
Exact Mass454.11
IUPAC NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C22H22N4O3S2/c1-14-10-11-16(12-20(14)31(28,29)25(3)4)23-21(27)19-13-18-15(2)24-26(22(18)30-19)17-8-6-5-7-9-17/h5-13H,1-4H3,(H,23,27)
InChIKeyMELFVSBAWKRXRK-UHFFFAOYSA-N
XLogP4.21
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.58
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-[4-(methylcarbamoylamino)phenyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 46540625
3-methyl-1-phenyl-N-(3-sulfamoylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 9413201
N-(3-cyanophenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 2341628
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 5197386
3-methyl-N'-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide
CID 3226614
1-(4-fluorophenyl)-3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 4068986
N-[4-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 66819477
3-methyl-1-phenyl-N-(4-piperazin-1-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 66819349
2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethylcarbamic acid
CID 66819117
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 78877447
N-(5-acetamido-2-methoxyphenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 42091924
N-(3-acetamido-4-methylphenyl)-1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 55784656

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (CID 5019286) is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is Cc1ccc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is MELFVSBAWKRXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3S2/c1-14-10-11-16(12-20(14)31(28,29)25(3)4)23-21(27)19-13-18-15(2)24-26(22(18)30-19)17-8-6-5-7-9-17/h5-13H,1-4H3,(H,23,27).
What are the key properties of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 454.58 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 5019286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).