3-(dimethylsulfamoyl)-N-[2-[[3-(3-fluorophenyl)cyclopentyl]amino]-2-oxoethyl]benzamide

C22H26FN3O4S — CID 146127558

IUPAC3-(dimethylsulfamoyl)-N-[2-[[3-(3-fluorophenyl)cyclopentyl]amino]-2-oxoethyl]benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC2CCC(c3cccc(F)c3)C2)c1
InChIInChI=1S/C22H26FN3O4S/c1-26(2)31(29,30)20-8-4-6-17(13-20)22(28)24-14-21(27)25-19-10-9-16(12-19)15-5-3-7-18(23)11-15/h3-8,11,13,16,19H,9-10,12,14H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyBICFMGXIUFGDFK-UHFFFAOYSA-N
MW447.53 g/mol
LogP2.26
Rot. Bonds7

About 3-(dimethylsulfamoyl)-N-[2-[[3-(3-fluorophenyl)cyclopentyl]amino]-2-oxoethyl]benzamide

3-(dimethylsulfamoyl)-N-[2-[[3-(3-fluorophenyl)cyclopentyl]amino]-2-oxoethyl]benzamide (PubChem CID 146127558) has the molecular formula C22H26FN3O4S and a molecular weight of 447.53 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-[2-[[3-(3-fluorophenyl)cyclopentyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-[2-[[3-(3-fluorophenyl)cyclopentyl]amino]-2-oxoethyl]benzamide
PubChem CID146127558
Molecular FormulaC22H26FN3O4S
Molecular Weight447.53 g/mol
Exact Mass447.16
IUPAC Name3-(dimethylsulfamoyl)-N-[2-[[3-(3-fluorophenyl)cyclopentyl]amino]-2-oxoethyl]benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC2CCC(c3cccc(F)c3)C2)c1
InChIInChI=1S/C22H26FN3O4S/c1-26(2)31(29,30)20-8-4-6-17(13-20)22(28)24-14-21(27)25-19-10-9-16(12-19)15-5-3-7-18(23)11-15/h3-8,11,13,16,19H,9-10,12,14H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyBICFMGXIUFGDFK-UHFFFAOYSA-N
XLogP2.26
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.53
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethylsulfamoyl)-N-[2-oxo-2-[(1-propylpiperidin-4-yl)amino]ethyl]benzamide
CID 9293100
3-(dimethylsulfamoyl)-N-[2-oxo-2-[(1-propylpiperidin-1-ium-4-yl)amino]ethyl]benzamide
CID 9293099
cis-(1R,3S)-3-[[2-[(3-fluorobenzoyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678933
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetic acid
CID 2456563
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetate
CID 2456562
3-(dimethylsulfamoyl)-N-(4-hydroxycyclohexyl)benzamide
CID 4811461
3-(dimethylsulfamoyl)-N-[2-(4-ethylanilino)-2-oxoethyl]benzamide
CID 8623572
3-(dimethylsulfamoyl)-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 18114783
N-[2-(cyclopropylamino)-2-oxoethyl]-3-[prop-2-enyl-[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 46523547
3-(dimethylsulfamoyl)-N-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]benzamide
CID 24548643
3-(dimethylsulfamoyl)-N-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]benzamide
CID 55483864
3-(dimethylsulfamoyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 55960567

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-[2-[[3-(3-fluorophenyl)cyclopentyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-[2-[[3-(3-fluorophenyl)cyclopentyl]amino]-2-oxoethyl]benzamide (CID 146127558) is 3-(dimethylsulfamoyl)-N-[2-[[3-(3-fluorophenyl)cyclopentyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-[2-[[3-(3-fluorophenyl)cyclopentyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-[2-[[3-(3-fluorophenyl)cyclopentyl]amino]-2-oxoethyl]benzamide is CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC2CCC(c3cccc(F)c3)C2)c1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-[2-[[3-(3-fluorophenyl)cyclopentyl]amino]-2-oxoethyl]benzamide?
The InChIKey is BICFMGXIUFGDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O4S/c1-26(2)31(29,30)20-8-4-6-17(13-20)22(28)24-14-21(27)25-19-10-9-16(12-19)15-5-3-7-18(23)11-15/h3-8,11,13,16,19H,9-10,12,14H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of 3-(dimethylsulfamoyl)-N-[2-[[3-(3-fluorophenyl)cyclopentyl]amino]-2-oxoethyl]benzamide?
3-(dimethylsulfamoyl)-N-[2-[[3-(3-fluorophenyl)cyclopentyl]amino]-2-oxoethyl]benzamide has a molecular weight of 447.53 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-[2-[[3-(3-fluorophenyl)cyclopentyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 146127558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).