N-(5-tert-butyl-1H-pyrazol-3-yl)-4-(cyclopentylsulfamoyl)benzamide

C19H26N4O3S — CID 171346933

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-4-(cyclopentylsulfamoyl)benzamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccc(S(=O)(=O)NC3CCCC3)cc2)n[nH]1
InChIInChI=1S/C19H26N4O3S/c1-19(2,3)16-12-17(22-21-16)20-18(24)13-8-10-15(11-9-13)27(25,26)23-14-6-4-5-7-14/h8-12,14,23H,4-7H2,1-3H3,(H2,20,21,22,24)
InChIKeyQKPXNLFXGWMNJO-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.18
Rot. Bonds5

About N-(5-tert-butyl-1H-pyrazol-3-yl)-4-(cyclopentylsulfamoyl)benzamide

N-(5-tert-butyl-1H-pyrazol-3-yl)-4-(cyclopentylsulfamoyl)benzamide (PubChem CID 171346933) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-4-(cyclopentylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-4-(cyclopentylsulfamoyl)benzamide
PubChem CID171346933
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-4-(cyclopentylsulfamoyl)benzamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccc(S(=O)(=O)NC3CCCC3)cc2)n[nH]1
InChIInChI=1S/C19H26N4O3S/c1-19(2,3)16-12-17(22-21-16)20-18(24)13-8-10-15(11-9-13)27(25,26)23-14-6-4-5-7-14/h8-12,14,23H,4-7H2,1-3H3,(H2,20,21,22,24)
InChIKeyQKPXNLFXGWMNJO-UHFFFAOYSA-N
XLogP3.18
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(5-tert-butyl-1H-pyrazol-3-yl)-4-(cyclopentylsulfamoyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-4-(cyclopentylsulfamoyl)benzamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-4-(cyclopentylsulfamoyl)benzamide (CID 171346933) is N-(5-tert-butyl-1H-pyrazol-3-yl)-4-(cyclopentylsulfamoyl)benzamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-4-(cyclopentylsulfamoyl)benzamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-4-(cyclopentylsulfamoyl)benzamide is CC(C)(C)c1cc(NC(=O)c2ccc(S(=O)(=O)NC3CCCC3)cc2)n[nH]1.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-4-(cyclopentylsulfamoyl)benzamide?
The InChIKey is QKPXNLFXGWMNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-19(2,3)16-12-17(22-21-16)20-18(24)13-8-10-15(11-9-13)27(25,26)23-14-6-4-5-7-14/h8-12,14,23H,4-7H2,1-3H3,(H2,20,21,22,24).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-4-(cyclopentylsulfamoyl)benzamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-(cyclopentylsulfamoyl)benzamide has a molecular weight of 390.51 g/mol, XLogP of 3.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)-4-(cyclopentylsulfamoyl)benzamide is sourced from PubChem (CID 171346933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).