N-(benzylcarbamoyl)-2-(4-fluorophenyl)sulfanylacetamide

C16H15FN2O2S — CID 2082334

IUPACN-(benzylcarbamoyl)-2-(4-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(F)cc1)NC(=O)NCc1ccccc1
InChIInChI=1S/C16H15FN2O2S/c17-13-6-8-14(9-7-13)22-11-15(20)19-16(21)18-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,18,19,20,21)
InChIKeyYMEGKHHEEYUYAQ-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.94
Rot. Bonds5

About N-(benzylcarbamoyl)-2-(4-fluorophenyl)sulfanylacetamide

N-(benzylcarbamoyl)-2-(4-fluorophenyl)sulfanylacetamide (PubChem CID 2082334) has the molecular formula C16H15FN2O2S and a molecular weight of 318.37 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-2-(4-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-2-(4-fluorophenyl)sulfanylacetamide
PubChem CID2082334
Molecular FormulaC16H15FN2O2S
Molecular Weight318.37 g/mol
Exact Mass318.08
IUPAC NameN-(benzylcarbamoyl)-2-(4-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(F)cc1)NC(=O)NCc1ccccc1
InChIInChI=1S/C16H15FN2O2S/c17-13-6-8-14(9-7-13)22-11-15(20)19-16(21)18-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,18,19,20,21)
InChIKeyYMEGKHHEEYUYAQ-UHFFFAOYSA-N
XLogP2.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[(4-methylphenyl)sulfanyl]acetamide
CID 846551
N-benzyl-2-(phenylthio)acetamide
CID 846429
N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
Propanamide, 3,3'-thiobis[N-(phenylmethyl)-
CID 562133
N-(propylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2592012
N-(4-fluorobenzyl)-2-[(4-methylphenyl)thio]propanamide
CID 2977027
N-(4-fluorobenzyl)-2-[(4-methylbenzyl)thio]acetamide
CID 3332623
N-(4-fluorobenzyl)-2-[(4-fluorobenzyl)thio]acetamide
CID 5045192
2-(benzenesulfonyl)-N-benzylacetamide
CID 2991483
N-[(4-fluorophenyl)methyl]-2-phenylsulfanylacetamide
CID 894919
N-benzyl-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2579184
N-(benzylcarbamoyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 2616192

Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-2-(4-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-(benzylcarbamoyl)-2-(4-fluorophenyl)sulfanylacetamide (CID 2082334) is N-(benzylcarbamoyl)-2-(4-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(benzylcarbamoyl)-2-(4-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-(benzylcarbamoyl)-2-(4-fluorophenyl)sulfanylacetamide is O=C(CSc1ccc(F)cc1)NC(=O)NCc1ccccc1.
What is the InChIKey of N-(benzylcarbamoyl)-2-(4-fluorophenyl)sulfanylacetamide?
The InChIKey is YMEGKHHEEYUYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2S/c17-13-6-8-14(9-7-13)22-11-15(20)19-16(21)18-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,18,19,20,21).
What are the key properties of N-(benzylcarbamoyl)-2-(4-fluorophenyl)sulfanylacetamide?
N-(benzylcarbamoyl)-2-(4-fluorophenyl)sulfanylacetamide has a molecular weight of 318.37 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-2-(4-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 2082334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).