2-(4-fluorophenyl)sulfanyl-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide

C16H18FNO2S2 — CID 97417429

IUPAC2-(4-fluorophenyl)sulfanyl-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide
SMILESCO[C@H](CNC(=O)CSc1ccc(F)cc1)c1ccc(C)s1
InChIInChI=1S/C16H18FNO2S2/c1-11-3-8-15(22-11)14(20-2)9-18-16(19)10-21-13-6-4-12(17)5-7-13/h3-8,14H,9-10H2,1-2H3,(H,18,19)/t14-/m1/s1
InChIKeyCJWAOPGEARKEIP-CQSZACIVSA-N
MW339.46 g/mol
LogP3.79
Rot. Bonds7

About 2-(4-fluorophenyl)sulfanyl-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide

2-(4-fluorophenyl)sulfanyl-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide (PubChem CID 97417429) has the molecular formula C16H18FNO2S2 and a molecular weight of 339.46 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide
PubChem CID97417429
Molecular FormulaC16H18FNO2S2
Molecular Weight339.46 g/mol
Exact Mass339.08
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide
SMILESCO[C@H](CNC(=O)CSc1ccc(F)cc1)c1ccc(C)s1
InChIInChI=1S/C16H18FNO2S2/c1-11-3-8-15(22-11)14(20-2)9-18-16(19)10-21-13-6-4-12(17)5-7-13/h3-8,14H,9-10H2,1-2H3,(H,18,19)/t14-/m1/s1
InChIKeyCJWAOPGEARKEIP-CQSZACIVSA-N
XLogP3.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 71810440
2-cyclopentylsulfanyl-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide
CID 71810343
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3,3-diphenylpropanamide
CID 90598426
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]pent-4-enamide
CID 90598306
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(2-methylphenoxy)acetamide
CID 90598353
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 90598381
N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 97417390
1-(2-fluorophenyl)-3-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 97417595
N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 97417494
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 90598410
N'-(3-fluorophenyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide
CID 90598559
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-N'-(2-methylsulfanylphenyl)oxamide
CID 90598595

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide (CID 97417429) is 2-(4-fluorophenyl)sulfanyl-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide is CO[C@H](CNC(=O)CSc1ccc(F)cc1)c1ccc(C)s1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide?
The InChIKey is CJWAOPGEARKEIP-CQSZACIVSA-N. The full InChI is InChI=1S/C16H18FNO2S2/c1-11-3-8-15(22-11)14(20-2)9-18-16(19)10-21-13-6-4-12(17)5-7-13/h3-8,14H,9-10H2,1-2H3,(H,18,19)/t14-/m1/s1.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide?
2-(4-fluorophenyl)sulfanyl-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide has a molecular weight of 339.46 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide is sourced from PubChem (CID 97417429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).