N-[2-(benzenesulfonamido)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide

C20H23FN2O3S — CID 86922420

IUPACN-[2-(benzenesulfonamido)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide
SMILESO=C(NCCNS(=O)(=O)c1ccccc1)C1(c2cccc(F)c2)CCCC1
InChIInChI=1S/C20H23FN2O3S/c21-17-8-6-7-16(15-17)20(11-4-5-12-20)19(24)22-13-14-23-27(25,26)18-9-2-1-3-10-18/h1-3,6-10,15,23H,4-5,11-14H2,(H,22,24)
InChIKeyHXKKRIACAVAENV-UHFFFAOYSA-N
MW390.48 g/mol
LogP2.73
Rot. Bonds7

About N-[2-(benzenesulfonamido)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide

N-[2-(benzenesulfonamido)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide (PubChem CID 86922420) has the molecular formula C20H23FN2O3S and a molecular weight of 390.48 g/mol. Its IUPAC name is N-[2-(benzenesulfonamido)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonamido)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide
PubChem CID86922420
Molecular FormulaC20H23FN2O3S
Molecular Weight390.48 g/mol
Exact Mass390.14
IUPAC NameN-[2-(benzenesulfonamido)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide
SMILESO=C(NCCNS(=O)(=O)c1ccccc1)C1(c2cccc(F)c2)CCCC1
InChIInChI=1S/C20H23FN2O3S/c21-17-8-6-7-16(15-17)20(11-4-5-12-20)19(24)22-13-14-23-27(25,26)18-9-2-1-3-10-18/h1-3,6-10,15,23H,4-5,11-14H2,(H,22,24)
InChIKeyHXKKRIACAVAENV-UHFFFAOYSA-N
XLogP2.73
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-fluorophenyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 110904346
1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]cyclobutane-1-carboxamide
CID 119500175
2-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]acetic acid
CID 119171698
N-(3-aminobutyl)-1-(3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119495759
N-(2-ethoxyethyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 60557792
3-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]-2,2-dimethylpropanoic acid
CID 119249767
N-[2-[(S)-tert-butylsulfinyl]ethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 95623396
1-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide
CID 111445692
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 37316419
N-[2-(4-aminophenyl)ethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide;hydrochloride
CID 119547553
3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylpropanoic acid
CID 119237684
N-[2-(2-amino-2-oxoethoxy)ethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 75381149

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonamido)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-[2-(benzenesulfonamido)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide (CID 86922420) is N-[2-(benzenesulfonamido)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-[2-(benzenesulfonamido)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-[2-(benzenesulfonamido)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide is O=C(NCCNS(=O)(=O)c1ccccc1)C1(c2cccc(F)c2)CCCC1.
What is the InChIKey of N-[2-(benzenesulfonamido)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide?
The InChIKey is HXKKRIACAVAENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3S/c21-17-8-6-7-16(15-17)20(11-4-5-12-20)19(24)22-13-14-23-27(25,26)18-9-2-1-3-10-18/h1-3,6-10,15,23H,4-5,11-14H2,(H,22,24).
What are the key properties of N-[2-(benzenesulfonamido)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide?
N-[2-(benzenesulfonamido)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide has a molecular weight of 390.48 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonamido)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 86922420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).