5-(diethylsulfamoyl)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-methylbenzamide

C25H32N4O3S — CID 55768958

IUPAC5-(diethylsulfamoyl)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NCc2cccc(Cn3nc(C)cc3C)c2)c1
InChIInChI=1S/C25H32N4O3S/c1-6-28(7-2)33(31,32)23-12-11-18(3)24(15-23)25(30)26-16-21-9-8-10-22(14-21)17-29-20(5)13-19(4)27-29/h8-15H,6-7,16-17H2,1-5H3,(H,26,30)
InChIKeyWCKSAZKEPAHQKV-UHFFFAOYSA-N
MW468.62 g/mol
LogP3.82
Rot. Bonds9

About 5-(diethylsulfamoyl)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-methylbenzamide

5-(diethylsulfamoyl)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-methylbenzamide (PubChem CID 55768958) has the molecular formula C25H32N4O3S and a molecular weight of 468.62 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-methylbenzamide
PubChem CID55768958
Molecular FormulaC25H32N4O3S
Molecular Weight468.62 g/mol
Exact Mass468.22
IUPAC Name5-(diethylsulfamoyl)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NCc2cccc(Cn3nc(C)cc3C)c2)c1
InChIInChI=1S/C25H32N4O3S/c1-6-28(7-2)33(31,32)23-12-11-18(3)24(15-23)25(30)26-16-21-9-8-10-22(14-21)17-29-20(5)13-19(4)27-29/h8-15H,6-7,16-17H2,1-5H3,(H,26,30)
InChIKeyWCKSAZKEPAHQKV-UHFFFAOYSA-N
XLogP3.82
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.62
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-chlorophenyl)methyl]-5-(diethylsulfamoyl)-2-methylbenzamide
CID 9165368
N-(2-benzyl-5-methylpyrazol-3-yl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 43052464
N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide
CID 55990379
2-chloro-5-(diethylsulfamoyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 60552354
5-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
CID 86891594
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,5-dimethylbenzamide
CID 9474464
5-(diethylsulfamoyl)-2-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 48731409
N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 119382998
5-(diethylsulfamoyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzamide
CID 87043361
N-benzyl-2-chloro-5-(diethylsulfamoyl)benzamide
CID 1121797
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-(diethylsulfamoyl)-2-methylbenzamide
CID 55737455
N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-8-methoxy-2-methylquinoline-3-carboxamide
CID 46978772

Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-methylbenzamide?
The IUPAC name of 5-(diethylsulfamoyl)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-methylbenzamide (CID 55768958) is 5-(diethylsulfamoyl)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-methylbenzamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-methylbenzamide?
The canonical SMILES for 5-(diethylsulfamoyl)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-methylbenzamide is CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NCc2cccc(Cn3nc(C)cc3C)c2)c1.
What is the InChIKey of 5-(diethylsulfamoyl)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-methylbenzamide?
The InChIKey is WCKSAZKEPAHQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3S/c1-6-28(7-2)33(31,32)23-12-11-18(3)24(15-23)25(30)26-16-21-9-8-10-22(14-21)17-29-20(5)13-19(4)27-29/h8-15H,6-7,16-17H2,1-5H3,(H,26,30).
What are the key properties of 5-(diethylsulfamoyl)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-methylbenzamide?
5-(diethylsulfamoyl)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-methylbenzamide has a molecular weight of 468.62 g/mol, XLogP of 3.82, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-methylbenzamide is sourced from PubChem (CID 55768958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).