4-sulfamoyl-N-[(1R,2S)-2-[[2-[[2-(trifluoromethyl)phenyl]carbamoylamino]acetyl]amino]cyclohexyl]benzamide

C23H26F3N5O5S — CID 68826663

IUPAC4-sulfamoyl-N-[(1R,2S)-2-[[2-[[2-(trifluoromethyl)phenyl]carbamoylamino]acetyl]amino]cyclohexyl]benzamide
SMILESNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C23H26F3N5O5S/c24-23(25,26)16-5-1-2-6-17(16)31-22(34)28-13-20(32)29-18-7-3-4-8-19(18)30-21(33)14-9-11-15(12-10-14)37(27,35)36/h1-2,5-6,9-12,18-19H,3-4,7-8,13H2,(H,29,32)(H,30,33)(H2,27,35,36)(H2,28,31,34)/t18-,19+/m0/s1
InChIKeyMSVXWTVIPGCDDS-RBUKOAKNSA-N
MW541.55 g/mol
LogP2.33
Rot. Bonds7

About 4-sulfamoyl-N-[(1R,2S)-2-[[2-[[2-(trifluoromethyl)phenyl]carbamoylamino]acetyl]amino]cyclohexyl]benzamide

4-sulfamoyl-N-[(1R,2S)-2-[[2-[[2-(trifluoromethyl)phenyl]carbamoylamino]acetyl]amino]cyclohexyl]benzamide (PubChem CID 68826663) has the molecular formula C23H26F3N5O5S and a molecular weight of 541.55 g/mol. Its IUPAC name is 4-sulfamoyl-N-[(1R,2S)-2-[[2-[[2-(trifluoromethyl)phenyl]carbamoylamino]acetyl]amino]cyclohexyl]benzamide.

Molecular Properties

Compound Name4-sulfamoyl-N-[(1R,2S)-2-[[2-[[2-(trifluoromethyl)phenyl]carbamoylamino]acetyl]amino]cyclohexyl]benzamide
PubChem CID68826663
Molecular FormulaC23H26F3N5O5S
Molecular Weight541.55 g/mol
Exact Mass541.16
IUPAC Name4-sulfamoyl-N-[(1R,2S)-2-[[2-[[2-(trifluoromethyl)phenyl]carbamoylamino]acetyl]amino]cyclohexyl]benzamide
SMILESNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C23H26F3N5O5S/c24-23(25,26)16-5-1-2-6-17(16)31-22(34)28-13-20(32)29-18-7-3-4-8-19(18)30-21(33)14-9-11-15(12-10-14)37(27,35)36/h1-2,5-6,9-12,18-19H,3-4,7-8,13H2,(H,29,32)(H,30,33)(H2,27,35,36)(H2,28,31,34)/t18-,19+/m0/s1
InChIKeyMSVXWTVIPGCDDS-RBUKOAKNSA-N
XLogP2.33
TPSA159.49 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.55
LogP ≤ 52.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 4-sulfamoyl-N-[(1R,2S)-2-[[2-[[2-(trifluoromethyl)phenyl]carbamoylamino]acetyl]amino]cyclohexyl]benzamide with MolForge

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Related Compounds

2-amino-N-[2-oxo-2-[[2-[(4-sulfamoylbenzoyl)amino]cyclohexyl]amino]ethyl]-5-(trifluoromethyl)benzamide
CID 22143301
N-[2-oxo-2-[[(1S,2R)-2-[(4-sulfamoylbenzoyl)amino]cyclohexyl]amino]ethyl]-3-(trifluoromethoxy)benzamide
CID 68827738
ethyl N-[2-[[2-oxo-2-[[(1R,2S)-2-[(4-sulfamoylbenzoyl)amino]cyclohexyl]amino]ethyl]carbamoyl]-4-(trifluoromethyl)phenyl]carbamate
CID 68826619
tert-butyl N-[[2-oxo-2-[[2-[(4-sulfamoylbenzoyl)amino]cyclohexyl]amino]ethyl]carbamoyl]-N-[4-(trifluoromethoxy)phenyl]carbamate
CID 22143290
N-[2-[[2-[(4-aminobenzoyl)amino]cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;benzamide
CID 22143127
N-cyclohexyl-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]benzamide
CID 1182084
N-[2-[[(1S,2R)-2-[(4-nitrobenzoyl)amino]cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 68828645
N-[2-[[(1S,2S)-2-[(4-iodobenzoyl)amino]cyclopentyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 142158591
N-[2-[[(1S,2R)-2-[(4-chlorobenzoyl)amino]cyclopentyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 10139931
N-[2-oxo-2-[[2-[(4-propan-2-ylbenzoyl)amino]cyclohexyl]amino]ethyl]-3-(trifluoromethyl)benzamide
CID 22143232
4-(cyclopropanecarbonyl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 110423293
2-(cycloheptylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109005582

Frequently Asked Questions

What is the IUPAC name of 4-sulfamoyl-N-[(1R,2S)-2-[[2-[[2-(trifluoromethyl)phenyl]carbamoylamino]acetyl]amino]cyclohexyl]benzamide?
The IUPAC name of 4-sulfamoyl-N-[(1R,2S)-2-[[2-[[2-(trifluoromethyl)phenyl]carbamoylamino]acetyl]amino]cyclohexyl]benzamide (CID 68826663) is 4-sulfamoyl-N-[(1R,2S)-2-[[2-[[2-(trifluoromethyl)phenyl]carbamoylamino]acetyl]amino]cyclohexyl]benzamide.
What is the SMILES notation for 4-sulfamoyl-N-[(1R,2S)-2-[[2-[[2-(trifluoromethyl)phenyl]carbamoylamino]acetyl]amino]cyclohexyl]benzamide?
The canonical SMILES for 4-sulfamoyl-N-[(1R,2S)-2-[[2-[[2-(trifluoromethyl)phenyl]carbamoylamino]acetyl]amino]cyclohexyl]benzamide is NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)Nc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of 4-sulfamoyl-N-[(1R,2S)-2-[[2-[[2-(trifluoromethyl)phenyl]carbamoylamino]acetyl]amino]cyclohexyl]benzamide?
The InChIKey is MSVXWTVIPGCDDS-RBUKOAKNSA-N. The full InChI is InChI=1S/C23H26F3N5O5S/c24-23(25,26)16-5-1-2-6-17(16)31-22(34)28-13-20(32)29-18-7-3-4-8-19(18)30-21(33)14-9-11-15(12-10-14)37(27,35)36/h1-2,5-6,9-12,18-19H,3-4,7-8,13H2,(H,29,32)(H,30,33)(H2,27,35,36)(H2,28,31,34)/t18-,19+/m0/s1.
What are the key properties of 4-sulfamoyl-N-[(1R,2S)-2-[[2-[[2-(trifluoromethyl)phenyl]carbamoylamino]acetyl]amino]cyclohexyl]benzamide?
4-sulfamoyl-N-[(1R,2S)-2-[[2-[[2-(trifluoromethyl)phenyl]carbamoylamino]acetyl]amino]cyclohexyl]benzamide has a molecular weight of 541.55 g/mol, XLogP of 2.33, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-sulfamoyl-N-[(1R,2S)-2-[[2-[[2-(trifluoromethyl)phenyl]carbamoylamino]acetyl]amino]cyclohexyl]benzamide is sourced from PubChem (CID 68826663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).