ethyl N-[2-(4-fluorophenyl)sulfanylacetyl]carbamate

C11H12FNO3S — CID 2635095

IUPACethyl N-[2-(4-fluorophenyl)sulfanylacetyl]carbamate
SMILESCCOC(=O)NC(=O)CSc1ccc(F)cc1
InChIInChI=1S/C11H12FNO3S/c1-2-16-11(15)13-10(14)7-17-9-5-3-8(12)4-6-9/h3-6H,2,7H2,1H3,(H,13,14,15)
InChIKeyGMPGZYYNRHZWJC-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.19
Rot. Bonds4

About ethyl N-[2-(4-fluorophenyl)sulfanylacetyl]carbamate

ethyl N-[2-(4-fluorophenyl)sulfanylacetyl]carbamate (PubChem CID 2635095) has the molecular formula C11H12FNO3S and a molecular weight of 257.29 g/mol. Its IUPAC name is ethyl N-[2-(4-fluorophenyl)sulfanylacetyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(4-fluorophenyl)sulfanylacetyl]carbamate
PubChem CID2635095
Molecular FormulaC11H12FNO3S
Molecular Weight257.29 g/mol
Exact Mass257.05
IUPAC Nameethyl N-[2-(4-fluorophenyl)sulfanylacetyl]carbamate
SMILESCCOC(=O)NC(=O)CSc1ccc(F)cc1
InChIInChI=1S/C11H12FNO3S/c1-2-16-11(15)13-10(14)7-17-9-5-3-8(12)4-6-9/h3-6H,2,7H2,1H3,(H,13,14,15)
InChIKeyGMPGZYYNRHZWJC-UHFFFAOYSA-N
XLogP2.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[2-(2,4-difluorophenyl)sulfanylacetyl]carbamate
CID 8837223
N'-[2-(4-fluorophenyl)sulfanylacetyl]-2-(4-methylphenyl)sulfanylacetohydrazide
CID 7970067
ethyl 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 7546117
ethyl N-[2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carbonyl]carbamate
CID 7546528
N-(4-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 2824699
2-(4-fluorophenyl)sulfanyl-N-(1-methylpyrazol-3-yl)acetamide
CID 18152531
ethyl N-[2-(4-amino-2-methylphenyl)sulfanylacetyl]carbamate
CID 43303038
2-(4-ethoxyphenyl)sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 134028864
methyl 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-2-methylpropanoate
CID 30875855
N-[(4-fluorophenyl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 2629170
2-(2,6-dimethylphenoxy)-N'-[2-(4-fluorophenyl)sulfanylacetyl]acetohydrazide
CID 7910927
ethyl (2R)-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]propanoate
CID 94194015

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(4-fluorophenyl)sulfanylacetyl]carbamate?
The IUPAC name of ethyl N-[2-(4-fluorophenyl)sulfanylacetyl]carbamate (CID 2635095) is ethyl N-[2-(4-fluorophenyl)sulfanylacetyl]carbamate.
What is the SMILES notation for ethyl N-[2-(4-fluorophenyl)sulfanylacetyl]carbamate?
The canonical SMILES for ethyl N-[2-(4-fluorophenyl)sulfanylacetyl]carbamate is CCOC(=O)NC(=O)CSc1ccc(F)cc1.
What is the InChIKey of ethyl N-[2-(4-fluorophenyl)sulfanylacetyl]carbamate?
The InChIKey is GMPGZYYNRHZWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3S/c1-2-16-11(15)13-10(14)7-17-9-5-3-8(12)4-6-9/h3-6H,2,7H2,1H3,(H,13,14,15).
What are the key properties of ethyl N-[2-(4-fluorophenyl)sulfanylacetyl]carbamate?
ethyl N-[2-(4-fluorophenyl)sulfanylacetyl]carbamate has a molecular weight of 257.29 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(4-fluorophenyl)sulfanylacetyl]carbamate is sourced from PubChem (CID 2635095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).