ethyl N-[2-(2,4-difluorophenyl)sulfanylacetyl]carbamate

C11H11F2NO3S — CID 8837223

IUPACethyl N-[2-(2,4-difluorophenyl)sulfanylacetyl]carbamate
SMILESCCOC(=O)NC(=O)CSc1ccc(F)cc1F
InChIInChI=1S/C11H11F2NO3S/c1-2-17-11(16)14-10(15)6-18-9-4-3-7(12)5-8(9)13/h3-5H,2,6H2,1H3,(H,14,15,16)
InChIKeyMMRUTXZNZYJCCD-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.33
Rot. Bonds4

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

ethyl N-[2-(2,4-difluorophenyl)sulfanylacetyl]carbamate (PubChem CID 8837223) has the molecular formula C11H11F2NO3S and a molecular weight of 275.28 g/mol. Its IUPAC name is ethyl N-[2-(2,4-difluorophenyl)sulfanylacetyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(2,4-difluorophenyl)sulfanylacetyl]carbamate
PubChem CID8837223
Molecular FormulaC11H11F2NO3S
Molecular Weight275.28 g/mol
Exact Mass275.04
IUPAC Nameethyl N-[2-(2,4-difluorophenyl)sulfanylacetyl]carbamate
SMILESCCOC(=O)NC(=O)CSc1ccc(F)cc1F
InChIInChI=1S/C11H11F2NO3S/c1-2-17-11(16)14-10(15)6-18-9-4-3-7(12)5-8(9)13/h3-5H,2,6H2,1H3,(H,14,15,16)
InChIKeyMMRUTXZNZYJCCD-UHFFFAOYSA-N
XLogP2.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[2-(4-fluorophenyl)sulfanylacetyl]carbamate
CID 2635095
2-(2,4-difluorophenyl)sulfanyl-N-ethylacetamide
CID 60661743
2-(2,4-difluorophenyl)sulfanyl-N-(propylcarbamoyl)acetamide
CID 27640774
2-(2,4-difluorophenyl)sulfanyl-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82724718
methyl N-[2-(2-amino-4-fluorophenyl)sulfanylacetyl]carbamate
CID 43304109
ethyl N-[2-(4-amino-2-methylphenyl)sulfanylacetyl]carbamate
CID 43303038
2-(2,4-difluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 103919914
N-(3,4-diethoxyphenyl)-2-(2,4-difluorophenyl)sulfanylacetamide
CID 9046452
2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]-3-methylpentanoic acid
CID 43241590
ethyl 2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]-1,3-thiazole-4-carboxylate
CID 51205234
2-(2,4-difluorophenyl)sulfanyl-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 94805815
2-(2,4-difluorophenyl)sulfanyl-N-(2-hydroxypentyl)acetamide
CID 115700812

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(2,4-difluorophenyl)sulfanylacetyl]carbamate?
The IUPAC name of ethyl N-[2-(2,4-difluorophenyl)sulfanylacetyl]carbamate (CID 8837223) is ethyl N-[2-(2,4-difluorophenyl)sulfanylacetyl]carbamate.
What is the SMILES notation for ethyl N-[2-(2,4-difluorophenyl)sulfanylacetyl]carbamate?
The canonical SMILES for ethyl N-[2-(2,4-difluorophenyl)sulfanylacetyl]carbamate is CCOC(=O)NC(=O)CSc1ccc(F)cc1F.
What is the InChIKey of ethyl N-[2-(2,4-difluorophenyl)sulfanylacetyl]carbamate?
The InChIKey is MMRUTXZNZYJCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO3S/c1-2-17-11(16)14-10(15)6-18-9-4-3-7(12)5-8(9)13/h3-5H,2,6H2,1H3,(H,14,15,16).
What are the key properties of ethyl N-[2-(2,4-difluorophenyl)sulfanylacetyl]carbamate?
ethyl N-[2-(2,4-difluorophenyl)sulfanylacetyl]carbamate has a molecular weight of 275.28 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(2,4-difluorophenyl)sulfanylacetyl]carbamate is sourced from PubChem (CID 8837223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).