N-[2-(3,5-difluorophenyl)ethyl]-3-sulfanylbenzamide

C15H13F2NOS — CID 107028509

IUPACN-[2-(3,5-difluorophenyl)ethyl]-3-sulfanylbenzamide
SMILESO=C(NCCc1cc(F)cc(F)c1)c1cccc(S)c1
InChIInChI=1S/C15H13F2NOS/c16-12-6-10(7-13(17)9-12)4-5-18-15(19)11-2-1-3-14(20)8-11/h1-3,6-9,20H,4-5H2,(H,18,19)
InChIKeyQXLPKSLWZLZDSC-UHFFFAOYSA-N
MW293.34 g/mol
LogP3.23
Rot. Bonds4

About N-[2-(3,5-difluorophenyl)ethyl]-3-sulfanylbenzamide

N-[2-(3,5-difluorophenyl)ethyl]-3-sulfanylbenzamide (PubChem CID 107028509) has the molecular formula C15H13F2NOS and a molecular weight of 293.34 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenyl)ethyl]-3-sulfanylbenzamide.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenyl)ethyl]-3-sulfanylbenzamide
PubChem CID107028509
Molecular FormulaC15H13F2NOS
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC NameN-[2-(3,5-difluorophenyl)ethyl]-3-sulfanylbenzamide
SMILESO=C(NCCc1cc(F)cc(F)c1)c1cccc(S)c1
InChIInChI=1S/C15H13F2NOS/c16-12-6-10(7-13(17)9-12)4-5-18-15(19)11-2-1-3-14(20)8-11/h1-3,6-9,20H,4-5H2,(H,18,19)
InChIKeyQXLPKSLWZLZDSC-UHFFFAOYSA-N
XLogP3.23
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 53.23
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

N-[2-(3,5-difluorophenyl)ethyl]-2-methyl-5-sulfanylbenzamide
CID 107028507
3-chloro-N-[2-(3,5-difluorophenyl)ethyl]-4-iodobenzamide
CID 103222067
N-[2-(3-fluorophenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 9051893
N-decyl-3-sulfanylbenzamide
CID 107032454
N-pent-4-ynyl-3-sulfanylbenzamide
CID 106222521
N-[2-(3,5-difluorophenyl)ethyl]thiophene-2-carboxamide
CID 62295549
N-[2-(3,5-difluorophenyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 110471449
1-N-butyl-3-N-[2-(4-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109051094
4-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 9051887
4-amino-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 43565816
N-[2-(1-methylimidazol-2-yl)ethyl]-3-sulfanylbenzamide
CID 107027461
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzamide
CID 16889405

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-3-sulfanylbenzamide?
The IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-3-sulfanylbenzamide (CID 107028509) is N-[2-(3,5-difluorophenyl)ethyl]-3-sulfanylbenzamide.
What is the SMILES notation for N-[2-(3,5-difluorophenyl)ethyl]-3-sulfanylbenzamide?
The canonical SMILES for N-[2-(3,5-difluorophenyl)ethyl]-3-sulfanylbenzamide is O=C(NCCc1cc(F)cc(F)c1)c1cccc(S)c1.
What is the InChIKey of N-[2-(3,5-difluorophenyl)ethyl]-3-sulfanylbenzamide?
The InChIKey is QXLPKSLWZLZDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NOS/c16-12-6-10(7-13(17)9-12)4-5-18-15(19)11-2-1-3-14(20)8-11/h1-3,6-9,20H,4-5H2,(H,18,19).
What are the key properties of N-[2-(3,5-difluorophenyl)ethyl]-3-sulfanylbenzamide?
N-[2-(3,5-difluorophenyl)ethyl]-3-sulfanylbenzamide has a molecular weight of 293.34 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenyl)ethyl]-3-sulfanylbenzamide is sourced from PubChem (CID 107028509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).