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

C23H24N4O3S2 — CID 30245336

IUPACN-[4-(dimethylsulfamoyl)phenyl]-3-methyl-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1ccc(Cn2nc(C)c3cc(C(=O)Nc4ccc(S(=O)(=O)N(C)C)cc4)sc32)cc1
InChIInChI=1S/C23H24N4O3S2/c1-15-5-7-17(8-6-15)14-27-23-20(16(2)25-27)13-21(31-23)22(28)24-18-9-11-19(12-10-18)32(29,30)26(3)4/h5-13H,14H2,1-4H3,(H,24,28)
InChIKeyUNXQUPFQYCOZCZ-UHFFFAOYSA-N
MW468.60 g/mol
LogP4.27
Rot. Bonds6

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

N-[4-(dimethylsulfamoyl)phenyl]-3-methyl-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 30245336) has the molecular formula C23H24N4O3S2 and a molecular weight of 468.60 g/mol. Its IUPAC name is N-[4-(dimethylsulfamoyl)phenyl]-3-methyl-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylsulfamoyl)phenyl]-3-methyl-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID30245336
Molecular FormulaC23H24N4O3S2
Molecular Weight468.60 g/mol
Exact Mass468.13
IUPAC NameN-[4-(dimethylsulfamoyl)phenyl]-3-methyl-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1ccc(Cn2nc(C)c3cc(C(=O)Nc4ccc(S(=O)(=O)N(C)C)cc4)sc32)cc1
InChIInChI=1S/C23H24N4O3S2/c1-15-5-7-17(8-6-15)14-27-23-20(16(2)25-27)13-21(31-23)22(28)24-18-9-11-19(12-10-18)32(29,30)26(3)4/h5-13H,14H2,1-4H3,(H,24,28)
InChIKeyUNXQUPFQYCOZCZ-UHFFFAOYSA-N
XLogP4.27
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-chlorophenyl)methyl]-N-[4-(dimethylcarbamoyl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 34546638
1-benzyl-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 26072972
N-(3,5-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 7960954
N-(4-acetylphenyl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 8712768
3-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 17430757
3-methyl-1-[(4-methylphenyl)methyl]-N-(4-methylpiperazin-4-ium-1-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 9075039
N-(4-chloro-2-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 7961231
1-benzyl-N-[4-(2-methoxyethoxy)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 112821607
N-(cyclopropylmethyl)-3-methyl-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 43050281
N-(3-methoxypropyl)-3-methyl-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 24502555
N-(3-acetylphenyl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 7958946
N-(2-aminospiro[2.3]hexan-5-yl)-3-methyl-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 167938241

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-3-methyl-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-3-methyl-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide (CID 30245336) is N-[4-(dimethylsulfamoyl)phenyl]-3-methyl-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-(dimethylsulfamoyl)phenyl]-3-methyl-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-[4-(dimethylsulfamoyl)phenyl]-3-methyl-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide is Cc1ccc(Cn2nc(C)c3cc(C(=O)Nc4ccc(S(=O)(=O)N(C)C)cc4)sc32)cc1.
What is the InChIKey of N-[4-(dimethylsulfamoyl)phenyl]-3-methyl-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is UNXQUPFQYCOZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S2/c1-15-5-7-17(8-6-15)14-27-23-20(16(2)25-27)13-21(31-23)22(28)24-18-9-11-19(12-10-18)32(29,30)26(3)4/h5-13H,14H2,1-4H3,(H,24,28).
What are the key properties of N-[4-(dimethylsulfamoyl)phenyl]-3-methyl-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide?
N-[4-(dimethylsulfamoyl)phenyl]-3-methyl-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 468.60 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylsulfamoyl)phenyl]-3-methyl-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 30245336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).