3-(cyclopentylsulfamoyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide

C25H30N4O3S — CID 55814945

IUPAC3-(cyclopentylsulfamoyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide
SMILESCN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C25H30N4O3S/c1-29(16-8-14-22-18-24(27-26-22)19-9-3-2-4-10-19)25(30)20-11-7-15-23(17-20)33(31,32)28-21-12-5-6-13-21/h2-4,7,9-11,15,17-18,21,28H,5-6,8,12-14,16H2,1H3,(H,26,27)
InChIKeyXNSKWSWYCIBOAN-UHFFFAOYSA-N
MW466.61 g/mol
LogP4.00
Rot. Bonds9

About 3-(cyclopentylsulfamoyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide

3-(cyclopentylsulfamoyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide (PubChem CID 55814945) has the molecular formula C25H30N4O3S and a molecular weight of 466.61 g/mol. Its IUPAC name is 3-(cyclopentylsulfamoyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide.

Molecular Properties

Compound Name3-(cyclopentylsulfamoyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide
PubChem CID55814945
Molecular FormulaC25H30N4O3S
Molecular Weight466.61 g/mol
Exact Mass466.20
IUPAC Name3-(cyclopentylsulfamoyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide
SMILESCN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C25H30N4O3S/c1-29(16-8-14-22-18-24(27-26-22)19-9-3-2-4-10-19)25(30)20-11-7-15-23(17-20)33(31,32)28-21-12-5-6-13-21/h2-4,7,9-11,15,17-18,21,28H,5-6,8,12-14,16H2,1H3,(H,26,27)
InChIKeyXNSKWSWYCIBOAN-UHFFFAOYSA-N
XLogP4.00
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.61
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-3-(cyclopentylsulfamoyl)-N-methylbenzamide
CID 37154343
3-(dimethylsulfamoyl)-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylbenzamide
CID 55863145
4-chloro-3-(diethylsulfamoyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide
CID 55814051
N,2-dimethyl-1-methylsulfonyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-2,3-dihydroindole-5-carboxamide
CID 55814145
3-(cyclopropylsulfamoyl)-N-methyl-N-phenylbenzamide
CID 30856164
3-[[3-(cyclopentylsulfamoyl)benzoyl]-ethylamino]propanoic acid
CID 119191474
3-(cyclobutylsulfamoyl)-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 72939295
4-amino-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]benzamide;hydrochloride
CID 119737086
3-(cyclopentylsulfamoyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 46577867
N-cyclopentyl-3-(cyclopropylsulfamoyl)-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 78853544
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-(methylsulfamoyl)benzamide
CID 55975551
N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]piperidine-2-carboxamide
CID 119296838

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylsulfamoyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide?
The IUPAC name of 3-(cyclopentylsulfamoyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide (CID 55814945) is 3-(cyclopentylsulfamoyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide.
What is the SMILES notation for 3-(cyclopentylsulfamoyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide?
The canonical SMILES for 3-(cyclopentylsulfamoyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide is CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1.
What is the InChIKey of 3-(cyclopentylsulfamoyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide?
The InChIKey is XNSKWSWYCIBOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3S/c1-29(16-8-14-22-18-24(27-26-22)19-9-3-2-4-10-19)25(30)20-11-7-15-23(17-20)33(31,32)28-21-12-5-6-13-21/h2-4,7,9-11,15,17-18,21,28H,5-6,8,12-14,16H2,1H3,(H,26,27).
What are the key properties of 3-(cyclopentylsulfamoyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide?
3-(cyclopentylsulfamoyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide has a molecular weight of 466.61 g/mol, XLogP of 4.00, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylsulfamoyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide is sourced from PubChem (CID 55814945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).