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

C16H16FNO2S — CID 2591885

IUPACN-(4-ethoxyphenyl)-2-(2-fluorophenyl)sulfanylacetamide
SMILESCCOc1ccc(NC(=O)CSc2ccccc2F)cc1
InChIInChI=1S/C16H16FNO2S/c1-2-20-13-9-7-12(8-10-13)18-16(19)11-21-15-6-4-3-5-14(15)17/h3-10H,2,11H2,1H3,(H,18,19)
InChIKeyGGAAEQZRMYCPFU-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.96
Rot. Bonds6

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

N-(4-ethoxyphenyl)-2-(2-fluorophenyl)sulfanylacetamide (PubChem CID 2591885) has the molecular formula C16H16FNO2S and a molecular weight of 305.37 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(2-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(2-fluorophenyl)sulfanylacetamide
PubChem CID2591885
Molecular FormulaC16H16FNO2S
Molecular Weight305.37 g/mol
Exact Mass305.09
IUPAC NameN-(4-ethoxyphenyl)-2-(2-fluorophenyl)sulfanylacetamide
SMILESCCOc1ccc(NC(=O)CSc2ccccc2F)cc1
InChIInChI=1S/C16H16FNO2S/c1-2-20-13-9-7-12(8-10-13)18-16(19)11-21-15-6-4-3-5-14(15)17/h3-10H,2,11H2,1H3,(H,18,19)
InChIKeyGGAAEQZRMYCPFU-UHFFFAOYSA-N
XLogP3.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylbenzoate
CID 4526009
N-[4-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 2591517
N-(4-bromophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591716
N-[(3,4-diethoxyphenyl)carbamoyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 7964597
N-(4-ethoxyphenyl)-2-[[4-ethyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3352293
N,N-diethyl-4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]benzamide
CID 7965030
N-[4-[2-(2-fluorophenyl)sulfanylethoxy]phenyl]acetamide
CID 9353797
N-(4-ethoxyphenyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 8745389
N-(4-ethoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 60864053
N-(4-ethoxyphenyl)-3,3-diphenylpropanamide
CID 836173
2-(2-fluorophenyl)sulfanyl-N-(4-nitrophenyl)acetamide
CID 7965036
N-[4-[2-(2-fluorophenyl)sulfanylacetyl]phenyl]propanamide
CID 7964698

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-(2-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(2-fluorophenyl)sulfanylacetamide (CID 2591885) is N-(4-ethoxyphenyl)-2-(2-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(2-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(2-fluorophenyl)sulfanylacetamide is CCOc1ccc(NC(=O)CSc2ccccc2F)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(2-fluorophenyl)sulfanylacetamide?
The InChIKey is GGAAEQZRMYCPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2S/c1-2-20-13-9-7-12(8-10-13)18-16(19)11-21-15-6-4-3-5-14(15)17/h3-10H,2,11H2,1H3,(H,18,19).
What are the key properties of N-(4-ethoxyphenyl)-2-(2-fluorophenyl)sulfanylacetamide?
N-(4-ethoxyphenyl)-2-(2-fluorophenyl)sulfanylacetamide has a molecular weight of 305.37 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-(2-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 2591885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).