N-[2-oxo-2-[[(1S,2R)-2-[(4-sulfamoylbenzoyl)amino]cyclohexyl]amino]ethyl]-3-(trifluoromethoxy)benzamide

C23H25F3N4O6S — CID 68827738

IUPACN-[2-oxo-2-[[(1S,2R)-2-[(4-sulfamoylbenzoyl)amino]cyclohexyl]amino]ethyl]-3-(trifluoromethoxy)benzamide
SMILESNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(OC(F)(F)F)c2)cc1
InChIInChI=1S/C23H25F3N4O6S/c24-23(25,26)36-16-5-3-4-15(12-16)21(32)28-13-20(31)29-18-6-1-2-7-19(18)30-22(33)14-8-10-17(11-9-14)37(27,34)35/h3-5,8-12,18-19H,1-2,6-7,13H2,(H,28,32)(H,29,31)(H,30,33)(H2,27,34,35)/t18-,19+/m0/s1
InChIKeyOFHZAXKFSTWRHZ-RBUKOAKNSA-N
MW542.54 g/mol
LogP1.82
Rot. Bonds8

About N-[2-oxo-2-[[(1S,2R)-2-[(4-sulfamoylbenzoyl)amino]cyclohexyl]amino]ethyl]-3-(trifluoromethoxy)benzamide

N-[2-oxo-2-[[(1S,2R)-2-[(4-sulfamoylbenzoyl)amino]cyclohexyl]amino]ethyl]-3-(trifluoromethoxy)benzamide (PubChem CID 68827738) has the molecular formula C23H25F3N4O6S and a molecular weight of 542.54 g/mol. Its IUPAC name is N-[2-oxo-2-[[(1S,2R)-2-[(4-sulfamoylbenzoyl)amino]cyclohexyl]amino]ethyl]-3-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-[[(1S,2R)-2-[(4-sulfamoylbenzoyl)amino]cyclohexyl]amino]ethyl]-3-(trifluoromethoxy)benzamide
PubChem CID68827738
Molecular FormulaC23H25F3N4O6S
Molecular Weight542.54 g/mol
Exact Mass542.14
IUPAC NameN-[2-oxo-2-[[(1S,2R)-2-[(4-sulfamoylbenzoyl)amino]cyclohexyl]amino]ethyl]-3-(trifluoromethoxy)benzamide
SMILESNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(OC(F)(F)F)c2)cc1
InChIInChI=1S/C23H25F3N4O6S/c24-23(25,26)36-16-5-3-4-15(12-16)21(32)28-13-20(31)29-18-6-1-2-7-19(18)30-22(33)14-8-10-17(11-9-14)37(27,34)35/h3-5,8-12,18-19H,1-2,6-7,13H2,(H,28,32)(H,29,31)(H,30,33)(H2,27,34,35)/t18-,19+/m0/s1
InChIKeyOFHZAXKFSTWRHZ-RBUKOAKNSA-N
XLogP1.82
TPSA156.69 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.54
LogP ≤ 51.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[2-oxo-2-[[(1S,2R)-2-[(4-sulfamoylbenzoyl)amino]cyclohexyl]amino]ethyl]-3-(trifluoromethoxy)benzamide with MolForge

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Related Compounds

tert-butyl N-[[2-oxo-2-[[2-[(4-sulfamoylbenzoyl)amino]cyclohexyl]amino]ethyl]carbamoyl]-N-[4-(trifluoromethoxy)phenyl]carbamate
CID 22143290
2-amino-N-[2-oxo-2-[[2-[(4-sulfamoylbenzoyl)amino]cyclohexyl]amino]ethyl]-5-(trifluoromethyl)benzamide
CID 22143301
4-sulfamoyl-N-[(1R,2S)-2-[[2-[[2-(trifluoromethyl)phenyl]carbamoylamino]acetyl]amino]cyclohexyl]benzamide
CID 68826663
N-[2-[[2-[(4-aminobenzoyl)amino]cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;benzamide
CID 22143127
N-[2-[[(1S,2R)-2-[(4-nitrobenzoyl)amino]cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 68828645
N-[2-[[(1S,2R)-2-[(4-chlorobenzoyl)amino]cyclopentyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 10139931
N-[2-[[(1S,2S)-2-[(4-iodobenzoyl)amino]cyclopentyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 142158591
ethyl N-[2-[[2-oxo-2-[[(1R,2S)-2-[(4-sulfamoylbenzoyl)amino]cyclohexyl]amino]ethyl]carbamoyl]-4-(trifluoromethyl)phenyl]carbamate
CID 68826619
N-[2-oxo-2-[[2-[(4-propan-2-ylbenzoyl)amino]cyclohexyl]amino]ethyl]-3-(trifluoromethyl)benzamide
CID 22143232
N-[2-[[(1S,2S)-2-aminocyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 24801692
N-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-3-(trifluoromethoxy)benzamide
CID 508745
N-[2-oxo-2-[[(1S,2R)-2-[(4-phenoxyphenyl)methylamino]cyclohexyl]amino]ethyl]-3-(trifluoromethyl)benzamide
CID 68827384

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[[(1S,2R)-2-[(4-sulfamoylbenzoyl)amino]cyclohexyl]amino]ethyl]-3-(trifluoromethoxy)benzamide?
The IUPAC name of N-[2-oxo-2-[[(1S,2R)-2-[(4-sulfamoylbenzoyl)amino]cyclohexyl]amino]ethyl]-3-(trifluoromethoxy)benzamide (CID 68827738) is N-[2-oxo-2-[[(1S,2R)-2-[(4-sulfamoylbenzoyl)amino]cyclohexyl]amino]ethyl]-3-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[2-oxo-2-[[(1S,2R)-2-[(4-sulfamoylbenzoyl)amino]cyclohexyl]amino]ethyl]-3-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[2-oxo-2-[[(1S,2R)-2-[(4-sulfamoylbenzoyl)amino]cyclohexyl]amino]ethyl]-3-(trifluoromethoxy)benzamide is NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(OC(F)(F)F)c2)cc1.
What is the InChIKey of N-[2-oxo-2-[[(1S,2R)-2-[(4-sulfamoylbenzoyl)amino]cyclohexyl]amino]ethyl]-3-(trifluoromethoxy)benzamide?
The InChIKey is OFHZAXKFSTWRHZ-RBUKOAKNSA-N. The full InChI is InChI=1S/C23H25F3N4O6S/c24-23(25,26)36-16-5-3-4-15(12-16)21(32)28-13-20(31)29-18-6-1-2-7-19(18)30-22(33)14-8-10-17(11-9-14)37(27,34)35/h3-5,8-12,18-19H,1-2,6-7,13H2,(H,28,32)(H,29,31)(H,30,33)(H2,27,34,35)/t18-,19+/m0/s1.
What are the key properties of N-[2-oxo-2-[[(1S,2R)-2-[(4-sulfamoylbenzoyl)amino]cyclohexyl]amino]ethyl]-3-(trifluoromethoxy)benzamide?
N-[2-oxo-2-[[(1S,2R)-2-[(4-sulfamoylbenzoyl)amino]cyclohexyl]amino]ethyl]-3-(trifluoromethoxy)benzamide has a molecular weight of 542.54 g/mol, XLogP of 1.82, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[[(1S,2R)-2-[(4-sulfamoylbenzoyl)amino]cyclohexyl]amino]ethyl]-3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 68827738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).