N-[1-(3-fluorophenyl)ethyl]-2-sulfanylbenzamide

C15H14FNOS — CID 103601942

IUPACN-[1-(3-fluorophenyl)ethyl]-2-sulfanylbenzamide
SMILESCC(NC(=O)c1ccccc1S)c1cccc(F)c1
InChIInChI=1S/C15H14FNOS/c1-10(11-5-4-6-12(16)9-11)17-15(18)13-7-2-3-8-14(13)19/h2-10,19H,1H3,(H,17,18)
InChIKeyKFGDOEGVZRMSJU-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.61
Rot. Bonds3

About N-[1-(3-fluorophenyl)ethyl]-2-sulfanylbenzamide

N-[1-(3-fluorophenyl)ethyl]-2-sulfanylbenzamide (PubChem CID 103601942) has the molecular formula C15H14FNOS and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)ethyl]-2-sulfanylbenzamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)ethyl]-2-sulfanylbenzamide
PubChem CID103601942
Molecular FormulaC15H14FNOS
Molecular Weight275.35 g/mol
Exact Mass275.08
IUPAC NameN-[1-(3-fluorophenyl)ethyl]-2-sulfanylbenzamide
SMILESCC(NC(=O)c1ccccc1S)c1cccc(F)c1
InChIInChI=1S/C15H14FNOS/c1-10(11-5-4-6-12(16)9-11)17-15(18)13-7-2-3-8-14(13)19/h2-10,19H,1H3,(H,17,18)
InChIKeyKFGDOEGVZRMSJU-UHFFFAOYSA-N
XLogP3.61
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[1-(3-fluorophenyl)ethyl]-2-sulfanylbenzamide
CID 107025551
N-(1-phenylethyl)-2-sulfanylbenzamide
CID 113218601
N-[1-(3-fluorophenyl)ethyl]-4-sulfanylbenzamide
CID 107025556
2-bromo-4-fluoro-N-[1-(3-fluorophenyl)ethyl]benzamide
CID 51206122
2-amino-3-chloro-N-[1-(3-fluorophenyl)ethyl]benzamide
CID 115540519
N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366934
N-[1-(3-fluorophenyl)ethyl]-4-iodobenzamide
CID 47098593
1-[1-(3-fluorophenyl)ethyl]-3-propan-2-ylurea
CID 47015065
4-bromo-N-[1-(3-fluorophenyl)ethyl]-2-methoxybenzamide
CID 78987865
(2R)-2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81364932
2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81365596
2-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]propanamide
CID 81365342

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)ethyl]-2-sulfanylbenzamide?
The IUPAC name of N-[1-(3-fluorophenyl)ethyl]-2-sulfanylbenzamide (CID 103601942) is N-[1-(3-fluorophenyl)ethyl]-2-sulfanylbenzamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)ethyl]-2-sulfanylbenzamide?
The canonical SMILES for N-[1-(3-fluorophenyl)ethyl]-2-sulfanylbenzamide is CC(NC(=O)c1ccccc1S)c1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)ethyl]-2-sulfanylbenzamide?
The InChIKey is KFGDOEGVZRMSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNOS/c1-10(11-5-4-6-12(16)9-11)17-15(18)13-7-2-3-8-14(13)19/h2-10,19H,1H3,(H,17,18).
What are the key properties of N-[1-(3-fluorophenyl)ethyl]-2-sulfanylbenzamide?
N-[1-(3-fluorophenyl)ethyl]-2-sulfanylbenzamide has a molecular weight of 275.35 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)ethyl]-2-sulfanylbenzamide is sourced from PubChem (CID 103601942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).