3-(cyclopentylsulfamoyl)-N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]benzamide

C26H26FN3O4S — CID 55894287

IUPAC3-(cyclopentylsulfamoyl)-N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(NC(=O)c2ccc(F)cc2)c1)c1cccc(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C26H26FN3O4S/c27-21-13-11-19(12-14-21)26(32)29-23-9-3-5-18(15-23)17-28-25(31)20-6-4-10-24(16-20)35(33,34)30-22-7-1-2-8-22/h3-6,9-16,22,30H,1-2,7-8,17H2,(H,28,31)(H,29,32)
InChIKeyMANNNGAJWLFAPQ-UHFFFAOYSA-N
MW495.58 g/mol
LogP4.23
Rot. Bonds8

About 3-(cyclopentylsulfamoyl)-N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]benzamide

3-(cyclopentylsulfamoyl)-N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]benzamide (PubChem CID 55894287) has the molecular formula C26H26FN3O4S and a molecular weight of 495.58 g/mol. Its IUPAC name is 3-(cyclopentylsulfamoyl)-N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-(cyclopentylsulfamoyl)-N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]benzamide
PubChem CID55894287
Molecular FormulaC26H26FN3O4S
Molecular Weight495.58 g/mol
Exact Mass495.16
IUPAC Name3-(cyclopentylsulfamoyl)-N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(NC(=O)c2ccc(F)cc2)c1)c1cccc(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C26H26FN3O4S/c27-21-13-11-19(12-14-21)26(32)29-23-9-3-5-18(15-23)17-28-25(31)20-6-4-10-24(16-20)35(33,34)30-22-7-1-2-8-22/h3-6,9-16,22,30H,1-2,7-8,17H2,(H,28,31)(H,29,32)
InChIKeyMANNNGAJWLFAPQ-UHFFFAOYSA-N
XLogP4.23
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclohexylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide
CID 109063365
3-[[3-(cyclohexylsulfamoyl)benzoyl]amino]benzoic acid
CID 1121769
N-[3-(cyclopropylsulfamoyl)phenyl]-3-fluorobenzamide
CID 17404523
3-(cycloheptylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide
CID 109064880
N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-(propylsulfonylamino)benzamide
CID 55946962
3-(cyclopropylsulfamoyl)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide
CID 55953779
N-[3-[[(2-cyclohexylacetyl)amino]methyl]phenyl]-4-fluorobenzamide
CID 55893896
4-(cyclopropylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide
CID 17496581
4-(cycloheptylsulfamoyl)-N-(4-fluorophenyl)benzamide
CID 109061223
3-(cyclopentylsulfamoyl)-N-ethylbenzamide
CID 30830540
4-[[3-(cyclohexylsulfamoyl)benzoyl]amino]benzoate
CID 6981857
N-(2-chloro-4-fluorophenyl)-3-(cyclopentylsulfamoyl)benzamide
CID 55577445

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylsulfamoyl)-N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]benzamide?
The IUPAC name of 3-(cyclopentylsulfamoyl)-N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]benzamide (CID 55894287) is 3-(cyclopentylsulfamoyl)-N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]benzamide.
What is the SMILES notation for 3-(cyclopentylsulfamoyl)-N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]benzamide?
The canonical SMILES for 3-(cyclopentylsulfamoyl)-N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]benzamide is O=C(NCc1cccc(NC(=O)c2ccc(F)cc2)c1)c1cccc(S(=O)(=O)NC2CCCC2)c1.
What is the InChIKey of 3-(cyclopentylsulfamoyl)-N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]benzamide?
The InChIKey is MANNNGAJWLFAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O4S/c27-21-13-11-19(12-14-21)26(32)29-23-9-3-5-18(15-23)17-28-25(31)20-6-4-10-24(16-20)35(33,34)30-22-7-1-2-8-22/h3-6,9-16,22,30H,1-2,7-8,17H2,(H,28,31)(H,29,32).
What are the key properties of 3-(cyclopentylsulfamoyl)-N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]benzamide?
3-(cyclopentylsulfamoyl)-N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]benzamide has a molecular weight of 495.58 g/mol, XLogP of 4.23, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylsulfamoyl)-N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]benzamide is sourced from PubChem (CID 55894287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).