N-[2-(2,4-difluorophenyl)ethyl]-N-methyl-2-sulfanylacetamide

C11H13F2NOS — CID 115167494

IUPACN-[2-(2,4-difluorophenyl)ethyl]-N-methyl-2-sulfanylacetamide
SMILESCN(CCc1ccc(F)cc1F)C(=O)CS
InChIInChI=1S/C11H13F2NOS/c1-14(11(15)7-16)5-4-8-2-3-9(12)6-10(8)13/h2-3,6,16H,4-5,7H2,1H3
InChIKeyJETADVUWQRCMSG-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.90
Rot. Bonds4

About N-[2-(2,4-difluorophenyl)ethyl]-N-methyl-2-sulfanylacetamide

N-[2-(2,4-difluorophenyl)ethyl]-N-methyl-2-sulfanylacetamide (PubChem CID 115167494) has the molecular formula C11H13F2NOS and a molecular weight of 245.29 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenyl)ethyl]-N-methyl-2-sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenyl)ethyl]-N-methyl-2-sulfanylacetamide
PubChem CID115167494
Molecular FormulaC11H13F2NOS
Molecular Weight245.29 g/mol
Exact Mass245.07
IUPAC NameN-[2-(2,4-difluorophenyl)ethyl]-N-methyl-2-sulfanylacetamide
SMILESCN(CCc1ccc(F)cc1F)C(=O)CS
InChIInChI=1S/C11H13F2NOS/c1-14(11(15)7-16)5-4-8-2-3-9(12)6-10(8)13/h2-3,6,16H,4-5,7H2,1H3
InChIKeyJETADVUWQRCMSG-UHFFFAOYSA-N
XLogP1.90
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[2-(2,4-difluorophenyl)ethyl]-N-methylacetamide
CID 115162195
N-[2-(2,4-difluorophenyl)ethyl]-N-methylcarbamoyl chloride
CID 115195055
2-chloro-N-[2-(2,5-difluorophenyl)ethyl]-N-methylacetamide
CID 115162189
2-cyano-N-[2-(2,5-difluorophenyl)ethyl]-N-methylacetamide
CID 115173346
4-(2,4-difluorophenyl)butan-2-one
CID 62197971
4-(2,4-difluorophenyl)-2-methylbutanoic acid
CID 81009481
3-[(2,4-difluorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 55049729
2-[(2-aminoacetyl)-[2-(2,4-difluorophenyl)ethyl]amino]-2-methylpropanoic acid
CID 10756614
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166392
ethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate
CID 60725198
N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylpropanamide
CID 60725238
N-[2-(2,5-difluorophenyl)ethyl]-2-hydroxy-N-methylpropanamide
CID 115141045

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenyl)ethyl]-N-methyl-2-sulfanylacetamide?
The IUPAC name of N-[2-(2,4-difluorophenyl)ethyl]-N-methyl-2-sulfanylacetamide (CID 115167494) is N-[2-(2,4-difluorophenyl)ethyl]-N-methyl-2-sulfanylacetamide.
What is the SMILES notation for N-[2-(2,4-difluorophenyl)ethyl]-N-methyl-2-sulfanylacetamide?
The canonical SMILES for N-[2-(2,4-difluorophenyl)ethyl]-N-methyl-2-sulfanylacetamide is CN(CCc1ccc(F)cc1F)C(=O)CS.
What is the InChIKey of N-[2-(2,4-difluorophenyl)ethyl]-N-methyl-2-sulfanylacetamide?
The InChIKey is JETADVUWQRCMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NOS/c1-14(11(15)7-16)5-4-8-2-3-9(12)6-10(8)13/h2-3,6,16H,4-5,7H2,1H3.
What are the key properties of N-[2-(2,4-difluorophenyl)ethyl]-N-methyl-2-sulfanylacetamide?
N-[2-(2,4-difluorophenyl)ethyl]-N-methyl-2-sulfanylacetamide has a molecular weight of 245.29 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenyl)ethyl]-N-methyl-2-sulfanylacetamide is sourced from PubChem (CID 115167494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).