N-[cyclopentyl-(2-fluorophenyl)methyl]-3-(sulfamoylmethyl)benzamide

C20H23FN2O3S — CID 139013031

IUPACN-[cyclopentyl-(2-fluorophenyl)methyl]-3-(sulfamoylmethyl)benzamide
SMILESNS(=O)(=O)Cc1cccc(C(=O)NC(c2ccccc2F)C2CCCC2)c1
InChIInChI=1S/C20H23FN2O3S/c21-18-11-4-3-10-17(18)19(15-7-1-2-8-15)23-20(24)16-9-5-6-14(12-16)13-27(22,25)26/h3-6,9-12,15,19H,1-2,7-8,13H2,(H,23,24)(H2,22,25,26)
InChIKeyFDBCETFNLRKIGM-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.28
Rot. Bonds6

About N-[cyclopentyl-(2-fluorophenyl)methyl]-3-(sulfamoylmethyl)benzamide

N-[cyclopentyl-(2-fluorophenyl)methyl]-3-(sulfamoylmethyl)benzamide (PubChem CID 139013031) has the molecular formula C20H23FN2O3S and a molecular weight of 390.48 g/mol. Its IUPAC name is N-[cyclopentyl-(2-fluorophenyl)methyl]-3-(sulfamoylmethyl)benzamide.

Molecular Properties

Compound NameN-[cyclopentyl-(2-fluorophenyl)methyl]-3-(sulfamoylmethyl)benzamide
PubChem CID139013031
Molecular FormulaC20H23FN2O3S
Molecular Weight390.48 g/mol
Exact Mass390.14
IUPAC NameN-[cyclopentyl-(2-fluorophenyl)methyl]-3-(sulfamoylmethyl)benzamide
SMILESNS(=O)(=O)Cc1cccc(C(=O)NC(c2ccccc2F)C2CCCC2)c1
InChIInChI=1S/C20H23FN2O3S/c21-18-11-4-3-10-17(18)19(15-7-1-2-8-15)23-20(24)16-9-5-6-14(12-16)13-27(22,25)26/h3-6,9-12,15,19H,1-2,7-8,13H2,(H,23,24)(H2,22,25,26)
InChIKeyFDBCETFNLRKIGM-UHFFFAOYSA-N
XLogP3.28
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminophenyl)-N-[cyclopentyl-(2-fluorophenyl)methyl]acetamide
CID 119815702
2-[[3-(sulfamoylmethyl)benzoyl]amino]propanoic acid
CID 119225711
N-[(S)-cyclopentyl-(2-fluorophenyl)methyl]-4-methylsulfonylbutanamide
CID 97053702
N-[(S)-cyclopentyl-(2-fluorophenyl)methyl]-2-methoxyacetamide
CID 97053712
N-[cyclopentyl-(2-fluorophenyl)methyl]-2-methoxyacetamide
CID 71972268
N-(2-amino-1-cyclopropylethyl)-3-(benzenesulfonylmethyl)benzamide
CID 119617679
N-[cyclopentyl-(2-fluorophenyl)methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119815713
1-N-[(S)-cyclopentyl-(2-fluorophenyl)methyl]piperidine-1,4-dicarboxamide
CID 97055835
3-(aminomethyl)-N-(1-cyclohexylethyl)benzamide
CID 55069258
N-[cyclopentyl-(2-fluorophenyl)methyl]-4-(methylamino)butanamide
CID 119815704
N-(2-piperidin-3-ylethyl)-3-(sulfamoylmethyl)benzamide;hydrochloride
CID 119555848
2-cyclopentyl-3-oxo-3-[3-(sulfamoylmethyl)anilino]propanoic acid
CID 138033236

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl-(2-fluorophenyl)methyl]-3-(sulfamoylmethyl)benzamide?
The IUPAC name of N-[cyclopentyl-(2-fluorophenyl)methyl]-3-(sulfamoylmethyl)benzamide (CID 139013031) is N-[cyclopentyl-(2-fluorophenyl)methyl]-3-(sulfamoylmethyl)benzamide.
What is the SMILES notation for N-[cyclopentyl-(2-fluorophenyl)methyl]-3-(sulfamoylmethyl)benzamide?
The canonical SMILES for N-[cyclopentyl-(2-fluorophenyl)methyl]-3-(sulfamoylmethyl)benzamide is NS(=O)(=O)Cc1cccc(C(=O)NC(c2ccccc2F)C2CCCC2)c1.
What is the InChIKey of N-[cyclopentyl-(2-fluorophenyl)methyl]-3-(sulfamoylmethyl)benzamide?
The InChIKey is FDBCETFNLRKIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3S/c21-18-11-4-3-10-17(18)19(15-7-1-2-8-15)23-20(24)16-9-5-6-14(12-16)13-27(22,25)26/h3-6,9-12,15,19H,1-2,7-8,13H2,(H,23,24)(H2,22,25,26).
What are the key properties of N-[cyclopentyl-(2-fluorophenyl)methyl]-3-(sulfamoylmethyl)benzamide?
N-[cyclopentyl-(2-fluorophenyl)methyl]-3-(sulfamoylmethyl)benzamide has a molecular weight of 390.48 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl-(2-fluorophenyl)methyl]-3-(sulfamoylmethyl)benzamide is sourced from PubChem (CID 139013031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).