N-cyclopentyl-3-(cyclopropylsulfamoyl)-N-[2-(4-fluorophenyl)ethyl]benzamide

C23H27FN2O3S — CID 78853544

IUPACN-cyclopentyl-3-(cyclopropylsulfamoyl)-N-[2-(4-fluorophenyl)ethyl]benzamide
SMILESO=C(c1cccc(S(=O)(=O)NC2CC2)c1)N(CCc1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C23H27FN2O3S/c24-19-10-8-17(9-11-19)14-15-26(21-5-1-2-6-21)23(27)18-4-3-7-22(16-18)30(28,29)25-20-12-13-20/h3-4,7-11,16,20-21,25H,1-2,5-6,12-15H2
InChIKeyIHJPNZWYCPCPLQ-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.89
Rot. Bonds8

About N-cyclopentyl-3-(cyclopropylsulfamoyl)-N-[2-(4-fluorophenyl)ethyl]benzamide

N-cyclopentyl-3-(cyclopropylsulfamoyl)-N-[2-(4-fluorophenyl)ethyl]benzamide (PubChem CID 78853544) has the molecular formula C23H27FN2O3S and a molecular weight of 430.55 g/mol. Its IUPAC name is N-cyclopentyl-3-(cyclopropylsulfamoyl)-N-[2-(4-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-3-(cyclopropylsulfamoyl)-N-[2-(4-fluorophenyl)ethyl]benzamide
PubChem CID78853544
Molecular FormulaC23H27FN2O3S
Molecular Weight430.55 g/mol
Exact Mass430.17
IUPAC NameN-cyclopentyl-3-(cyclopropylsulfamoyl)-N-[2-(4-fluorophenyl)ethyl]benzamide
SMILESO=C(c1cccc(S(=O)(=O)NC2CC2)c1)N(CCc1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C23H27FN2O3S/c24-19-10-8-17(9-11-19)14-15-26(21-5-1-2-6-21)23(27)18-4-3-7-22(16-18)30(28,29)25-20-12-13-20/h3-4,7-11,16,20-21,25H,1-2,5-6,12-15H2
InChIKeyIHJPNZWYCPCPLQ-UHFFFAOYSA-N
XLogP3.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 78853789
3-(cyclopropylsulfamoyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide
CID 55359807
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-methylsulfonylbenzamide
CID 78853832
N-cyclopentyl-4-(difluoromethylsulfonyl)-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 78853831
3-(cyclopropylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzamide
CID 46647625
N-butyl-3-(cyclopentylsulfamoyl)-N-methylbenzamide
CID 37154343
3-(cyclopentylsulfamoyl)-N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]benzamide
CID 55894287
5-bromo-N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]furan-3-carboxamide
CID 78853656
3-[[3-(cyclopentylsulfamoyl)benzoyl]-ethylamino]propanoic acid
CID 119191474
3-(cyclobutylsulfamoyl)-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 72939295
3-(cyclopentylsulfamoyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide
CID 55814945
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 78853634

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-(cyclopropylsulfamoyl)-N-[2-(4-fluorophenyl)ethyl]benzamide?
The IUPAC name of N-cyclopentyl-3-(cyclopropylsulfamoyl)-N-[2-(4-fluorophenyl)ethyl]benzamide (CID 78853544) is N-cyclopentyl-3-(cyclopropylsulfamoyl)-N-[2-(4-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for N-cyclopentyl-3-(cyclopropylsulfamoyl)-N-[2-(4-fluorophenyl)ethyl]benzamide?
The canonical SMILES for N-cyclopentyl-3-(cyclopropylsulfamoyl)-N-[2-(4-fluorophenyl)ethyl]benzamide is O=C(c1cccc(S(=O)(=O)NC2CC2)c1)N(CCc1ccc(F)cc1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-3-(cyclopropylsulfamoyl)-N-[2-(4-fluorophenyl)ethyl]benzamide?
The InChIKey is IHJPNZWYCPCPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O3S/c24-19-10-8-17(9-11-19)14-15-26(21-5-1-2-6-21)23(27)18-4-3-7-22(16-18)30(28,29)25-20-12-13-20/h3-4,7-11,16,20-21,25H,1-2,5-6,12-15H2.
What are the key properties of N-cyclopentyl-3-(cyclopropylsulfamoyl)-N-[2-(4-fluorophenyl)ethyl]benzamide?
N-cyclopentyl-3-(cyclopropylsulfamoyl)-N-[2-(4-fluorophenyl)ethyl]benzamide has a molecular weight of 430.55 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-(cyclopropylsulfamoyl)-N-[2-(4-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 78853544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).