3-(benzenesulfonamido)-1-[2-oxo-2-[(2-phenylmethoxycyclohexyl)amino]ethyl]-N-(2-phenylmethoxycyclohexyl)pyrazole-5-carboxamide

C38H45N5O6S — CID 72992949

IUPAC3-(benzenesulfonamido)-1-[2-oxo-2-[(2-phenylmethoxycyclohexyl)amino]ethyl]-N-(2-phenylmethoxycyclohexyl)pyrazole-5-carboxamide
SMILESO=C(Cn1nc(NS(=O)(=O)c2ccccc2)cc1C(=O)NC1CCCCC1OCc1ccccc1)NC1CCCCC1OCc1ccccc1
InChIInChI=1S/C38H45N5O6S/c44-37(39-31-20-10-12-22-34(31)48-26-28-14-4-1-5-15-28)25-43-33(24-36(41-43)42-50(46,47)30-18-8-3-9-19-30)38(45)40-32-21-11-13-23-35(32)49-27-29-16-6-2-7-17-29/h1-9,14-19,24,31-32,34-35H,10-13,20-23,25-27H2,(H,39,44)(H,40,45)(H,41,42)
InChIKeyDGFWGFDDVLNOEE-UHFFFAOYSA-N
MW699.87 g/mol
LogP5.59
Rot. Bonds14

About 3-(benzenesulfonamido)-1-[2-oxo-2-[(2-phenylmethoxycyclohexyl)amino]ethyl]-N-(2-phenylmethoxycyclohexyl)pyrazole-5-carboxamide

3-(benzenesulfonamido)-1-[2-oxo-2-[(2-phenylmethoxycyclohexyl)amino]ethyl]-N-(2-phenylmethoxycyclohexyl)pyrazole-5-carboxamide (PubChem CID 72992949) has the molecular formula C38H45N5O6S and a molecular weight of 699.87 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-1-[2-oxo-2-[(2-phenylmethoxycyclohexyl)amino]ethyl]-N-(2-phenylmethoxycyclohexyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-1-[2-oxo-2-[(2-phenylmethoxycyclohexyl)amino]ethyl]-N-(2-phenylmethoxycyclohexyl)pyrazole-5-carboxamide
PubChem CID72992949
Molecular FormulaC38H45N5O6S
Molecular Weight699.87 g/mol
Exact Mass699.31
IUPAC Name3-(benzenesulfonamido)-1-[2-oxo-2-[(2-phenylmethoxycyclohexyl)amino]ethyl]-N-(2-phenylmethoxycyclohexyl)pyrazole-5-carboxamide
SMILESO=C(Cn1nc(NS(=O)(=O)c2ccccc2)cc1C(=O)NC1CCCCC1OCc1ccccc1)NC1CCCCC1OCc1ccccc1
InChIInChI=1S/C38H45N5O6S/c44-37(39-31-20-10-12-22-34(31)48-26-28-14-4-1-5-15-28)25-43-33(24-36(41-43)42-50(46,47)30-18-8-3-9-19-30)38(45)40-32-21-11-13-23-35(32)49-27-29-16-6-2-7-17-29/h1-9,14-19,24,31-32,34-35H,10-13,20-23,25-27H2,(H,39,44)(H,40,45)(H,41,42)
InChIKeyDGFWGFDDVLNOEE-UHFFFAOYSA-N
XLogP5.59
TPSA140.65 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.87
LogP ≤ 55.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-(benzenesulfonamido)-1-[2-oxo-2-[(2-phenylmethoxycyclohexyl)amino]ethyl]-N-(2-phenylmethoxycyclohexyl)pyrazole-5-carboxamide 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 3-(benzenesulfonamido)-1-[2-oxo-2-[(2-phenylmethoxycyclohexyl)amino]ethyl]-N-(2-phenylmethoxycyclohexyl)pyrazole-5-carboxamide?
The IUPAC name of 3-(benzenesulfonamido)-1-[2-oxo-2-[(2-phenylmethoxycyclohexyl)amino]ethyl]-N-(2-phenylmethoxycyclohexyl)pyrazole-5-carboxamide (CID 72992949) is 3-(benzenesulfonamido)-1-[2-oxo-2-[(2-phenylmethoxycyclohexyl)amino]ethyl]-N-(2-phenylmethoxycyclohexyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-(benzenesulfonamido)-1-[2-oxo-2-[(2-phenylmethoxycyclohexyl)amino]ethyl]-N-(2-phenylmethoxycyclohexyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-(benzenesulfonamido)-1-[2-oxo-2-[(2-phenylmethoxycyclohexyl)amino]ethyl]-N-(2-phenylmethoxycyclohexyl)pyrazole-5-carboxamide is O=C(Cn1nc(NS(=O)(=O)c2ccccc2)cc1C(=O)NC1CCCCC1OCc1ccccc1)NC1CCCCC1OCc1ccccc1.
What is the InChIKey of 3-(benzenesulfonamido)-1-[2-oxo-2-[(2-phenylmethoxycyclohexyl)amino]ethyl]-N-(2-phenylmethoxycyclohexyl)pyrazole-5-carboxamide?
The InChIKey is DGFWGFDDVLNOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H45N5O6S/c44-37(39-31-20-10-12-22-34(31)48-26-28-14-4-1-5-15-28)25-43-33(24-36(41-43)42-50(46,47)30-18-8-3-9-19-30)38(45)40-32-21-11-13-23-35(32)49-27-29-16-6-2-7-17-29/h1-9,14-19,24,31-32,34-35H,10-13,20-23,25-27H2,(H,39,44)(H,40,45)(H,41,42).
What are the key properties of 3-(benzenesulfonamido)-1-[2-oxo-2-[(2-phenylmethoxycyclohexyl)amino]ethyl]-N-(2-phenylmethoxycyclohexyl)pyrazole-5-carboxamide?
3-(benzenesulfonamido)-1-[2-oxo-2-[(2-phenylmethoxycyclohexyl)amino]ethyl]-N-(2-phenylmethoxycyclohexyl)pyrazole-5-carboxamide has a molecular weight of 699.87 g/mol, XLogP of 5.59, 14 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-1-[2-oxo-2-[(2-phenylmethoxycyclohexyl)amino]ethyl]-N-(2-phenylmethoxycyclohexyl)pyrazole-5-carboxamide is sourced from PubChem (CID 72992949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).