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

C38H45N5O6S — CID 11520436

IUPAC3-(benzenesulfonamido)-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrazole-5-carboxamide
SMILESO=C(Cn1nc(NS(=O)(=O)c2ccccc2)cc1C(=O)N[C@H]1CCCC[C@@H]1OCc1ccccc1)N[C@H]1CCCC[C@@H]1OCc1ccccc1
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)/t31-,32-,34-,35-/m0/s1
InChIKeyDGFWGFDDVLNOEE-IIFAZUGRSA-N
MW699.87 g/mol
LogP5.59
Rot. Bonds14

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

3-(benzenesulfonamido)-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrazole-5-carboxamide (PubChem CID 11520436) has the molecular formula C38H45N5O6S and a molecular weight of 699.87 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrazole-5-carboxamide
PubChem CID11520436
Molecular FormulaC38H45N5O6S
Molecular Weight699.87 g/mol
Exact Mass699.31
IUPAC Name3-(benzenesulfonamido)-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrazole-5-carboxamide
SMILESO=C(Cn1nc(NS(=O)(=O)c2ccccc2)cc1C(=O)N[C@H]1CCCC[C@@H]1OCc1ccccc1)N[C@H]1CCCC[C@@H]1OCc1ccccc1
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)/t31-,32-,34-,35-/m0/s1
InChIKeyDGFWGFDDVLNOEE-IIFAZUGRSA-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-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrazole-5-carboxamide with MolForge

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Related Compounds

N3-benzyl-N5-[(1S,2S)-2-benzyloxycyclohexyl]-1-[2-[[(1S,2S)-2-benzyloxycyclohexyl]amino]-2-oxo-ethyl]pyrazole-3,5-dicarboxamide
CID 11498461
1H-Pyrazole-1-acetamide, N-[(1S,2S)-2-(phenylmethoxy)cyclohexyl]-5-[[[(1S,2S)-2-(phenylmethoxy)cyclohexyl]amino]carbonyl]-3-[[(phenylmethyl)sulfonyl]amino]-
CID 11498579
N-[(1S,2S)-2-benzyloxycyclohexyl]-2-[2-[[(1S,2S)-2-benzyloxycyclohexyl]amino]-2-oxo-ethyl]-5-[(2,5-dimethoxyphenyl)sulfonylamino]pyrazole-3-carboxamide
CID 11498689
N5-[(1S,2S)-2-benzyloxycyclohexyl]-1-[2-[[(1S,2S)-2-benzyloxycyclohexyl]amino]-2-oxo-ethyl]-N3-cyano-pyrazole-3,5-dicarboxamide
CID 11512816
1H-Pyrazole-3,5-dicarboxamide, N3-(1-methyl-1-phenylethyl)-1-[2-oxo-2-[[(1S,2S)-2-(phenylmethoxy)cyclohexyl]amino]ethyl]-N5-[(1S,2S)-2-(phenylmethoxy)cyclohexyl]-
CID 11513207
1H-Pyrazole-1-acetamide, 3-[[(3,4-dichlorophenyl)sulfonyl]amino]-N-[(1S,2S)-2-(phenylmethoxy)cyclohexyl]-5-[[[(1S,2S)-2-(phenylmethoxy)cyclohexyl]amino]carbonyl]-
CID 11513339
N5-[(1S,2S)-2-benzyloxycyclohexyl]-1-[2-[[(1S,2S)-2-benzyloxycyclohexyl]amino]-2-oxo-ethyl]-N3-(1-phenylethyl)pyrazole-3,5-dicarboxamide
CID 11527668
1H-Pyrazole-1-acetamide, 3-[[(2,5-dichlorophenyl)sulfonyl]amino]-N-[(1S,2S)-2-(phenylmethoxy)cyclohexyl]-5-[[[(1S,2S)-2-(phenylmethoxy)cyclohexyl]amino]carbonyl]-
CID 11535087
1H-Pyrazole-1-acetamide, 3-[[(2-chloro-4-fluorophenyl)sulfonyl]amino]-N-[(1S,2S)-2-(phenylmethoxy)cyclohexyl]-5-[[[(1S,2S)-2-(phenylmethoxy)cyclohexyl]amino]carbonyl]-
CID 11549493
N5-[(1S,2S)-2-benzyloxycyclohexyl]-1-[2-[[(1S,2S)-2-benzyloxycyclohexyl]amino]-2-oxo-ethyl]-N3-[2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]ethyl]pyrazole-3,5-dicarboxamide
CID 11549682
1H-Pyrazole-1-acetamide, 3-[[(3-chlorophenyl)sulfonyl]amino]-N-[(1S,2S)-2-(phenylmethoxy)cyclohexyl]-5-[[[(1S,2S)-2-(phenylmethoxy)cyclohexyl]amino]carbonyl]-
CID 11571282
1H-Pyrazole-1-acetamide, N-[(1S,2S)-2-(phenylmethoxy)cyclohexyl]-5-[[[(1S,2S)-2-(phenylmethoxy)cyclohexyl]amino]carbonyl]-3-[[[4-(trifluoromethyl)phenyl]sulfonyl]amino]-
CID 11578617

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrazole-5-carboxamide?
The IUPAC name of 3-(benzenesulfonamido)-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrazole-5-carboxamide (CID 11520436) is 3-(benzenesulfonamido)-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(benzenesulfonamido)-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-(benzenesulfonamido)-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrazole-5-carboxamide is O=C(Cn1nc(NS(=O)(=O)c2ccccc2)cc1C(=O)N[C@H]1CCCC[C@@H]1OCc1ccccc1)N[C@H]1CCCC[C@@H]1OCc1ccccc1.
What is the InChIKey of 3-(benzenesulfonamido)-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrazole-5-carboxamide?
The InChIKey is DGFWGFDDVLNOEE-IIFAZUGRSA-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)/t31-,32-,34-,35-/m0/s1.
What are the key properties of 3-(benzenesulfonamido)-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrazole-5-carboxamide?
3-(benzenesulfonamido)-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1S,2S)-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-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrazole-5-carboxamide is sourced from PubChem (CID 11520436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).