N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide

C25H26N4O3S2 — CID 55707237

IUPACN-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
SMILESCc1cc(C)n(-c2ccc(CCNC(=O)c3cccc(S(=O)(=O)NCc4cccs4)c3)cc2)n1
InChIInChI=1S/C25H26N4O3S2/c1-18-15-19(2)29(28-18)22-10-8-20(9-11-22)12-13-26-25(30)21-5-3-7-24(16-21)34(31,32)27-17-23-6-4-14-33-23/h3-11,14-16,27H,12-13,17H2,1-2H3,(H,26,30)
InChIKeyFCHRUJMGHMJQCZ-UHFFFAOYSA-N
MW494.64 g/mol
LogP4.00
Rot. Bonds9

About N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide

N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide (PubChem CID 55707237) has the molecular formula C25H26N4O3S2 and a molecular weight of 494.64 g/mol. Its IUPAC name is N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
PubChem CID55707237
Molecular FormulaC25H26N4O3S2
Molecular Weight494.64 g/mol
Exact Mass494.14
IUPAC NameN-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
SMILESCc1cc(C)n(-c2ccc(CCNC(=O)c3cccc(S(=O)(=O)NCc4cccs4)c3)cc2)n1
InChIInChI=1S/C25H26N4O3S2/c1-18-15-19(2)29(28-18)22-10-8-20(9-11-22)12-13-26-25(30)21-5-3-7-24(16-21)34(31,32)27-17-23-6-4-14-33-23/h3-11,14-16,27H,12-13,17H2,1-2H3,(H,26,30)
InChIKeyFCHRUJMGHMJQCZ-UHFFFAOYSA-N
XLogP4.00
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 9427630
N-[2-(methylamino)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119499971
3-(benzylsulfamoyl)-N-(2-thiophen-2-ylethyl)benzamide
CID 27770474
N-[2-(2-fluorophenyl)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 31282087
N-[2-[di(propan-2-yl)amino]ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 30480977
N-[(2-methylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 9429337
N-ethyl-N-methyl-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 134063264
N-[2-(methylamino)propyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 120829635
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 55707293
N-(2-phenylsulfanylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 26444819
N-[(4-propoxyphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 60518879
N-[4-(4-methylpiperidin-1-yl)butyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 55716578

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide (CID 55707237) is N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide is Cc1cc(C)n(-c2ccc(CCNC(=O)c3cccc(S(=O)(=O)NCc4cccs4)c3)cc2)n1.
What is the InChIKey of N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The InChIKey is FCHRUJMGHMJQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3S2/c1-18-15-19(2)29(28-18)22-10-8-20(9-11-22)12-13-26-25(30)21-5-3-7-24(16-21)34(31,32)27-17-23-6-4-14-33-23/h3-11,14-16,27H,12-13,17H2,1-2H3,(H,26,30).
What are the key properties of N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide has a molecular weight of 494.64 g/mol, XLogP of 4.00, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 55707237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).