N-[(1S)-1-(2-chlorophenyl)ethyl]-2-(3,4-difluorophenyl)sulfanylacetamide

C16H14ClF2NOS — CID 7737211

IUPACN-[(1S)-1-(2-chlorophenyl)ethyl]-2-(3,4-difluorophenyl)sulfanylacetamide
SMILESC[C@H](NC(=O)CSc1ccc(F)c(F)c1)c1ccccc1Cl
InChIInChI=1S/C16H14ClF2NOS/c1-10(12-4-2-3-5-13(12)17)20-16(21)9-22-11-6-7-14(18)15(19)8-11/h2-8,10H,9H2,1H3,(H,20,21)/t10-/m0/s1
InChIKeyONAUPHPSZPBKSO-JTQLQIEISA-N
MW341.81 g/mol
LogP4.59
Rot. Bonds5

About N-[(1S)-1-(2-chlorophenyl)ethyl]-2-(3,4-difluorophenyl)sulfanylacetamide

N-[(1S)-1-(2-chlorophenyl)ethyl]-2-(3,4-difluorophenyl)sulfanylacetamide (PubChem CID 7737211) has the molecular formula C16H14ClF2NOS and a molecular weight of 341.81 g/mol. Its IUPAC name is N-[(1S)-1-(2-chlorophenyl)ethyl]-2-(3,4-difluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-chlorophenyl)ethyl]-2-(3,4-difluorophenyl)sulfanylacetamide
PubChem CID7737211
Molecular FormulaC16H14ClF2NOS
Molecular Weight341.81 g/mol
Exact Mass341.05
IUPAC NameN-[(1S)-1-(2-chlorophenyl)ethyl]-2-(3,4-difluorophenyl)sulfanylacetamide
SMILESC[C@H](NC(=O)CSc1ccc(F)c(F)c1)c1ccccc1Cl
InChIInChI=1S/C16H14ClF2NOS/c1-10(12-4-2-3-5-13(12)17)20-16(21)9-22-11-6-7-14(18)15(19)8-11/h2-8,10H,9H2,1H3,(H,20,21)/t10-/m0/s1
InChIKeyONAUPHPSZPBKSO-JTQLQIEISA-N
XLogP4.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.81
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]-2-phenylsulfanylacetamide
CID 51150831
(2R)-2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]propanoic acid
CID 54990911
2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 26882670
N-[1-(2,4-dichlorophenyl)ethyl]-2-(4-hydroxyphenyl)sulfanylacetamide
CID 55837152
2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 26882671
(2R)-2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-3-methylbutanoic acid
CID 79011227
N-[(2-chlorophenyl)methyl]-2-(3,4-difluorophenyl)sulfanylacetamide
CID 7736953
2-(3,4-difluorophenyl)sulfanyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103716336
2-(3,4-difluorophenyl)sulfanyl-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]acetamide
CID 18276695
N-[1-(2,4-dichlorophenyl)ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide
CID 4790552
2-(3,4-difluorophenyl)sulfanyl-N-methylacetamide
CID 60665693
(2R)-2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-3-phenylpropanoic acid
CID 99779679

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-chlorophenyl)ethyl]-2-(3,4-difluorophenyl)sulfanylacetamide?
The IUPAC name of N-[(1S)-1-(2-chlorophenyl)ethyl]-2-(3,4-difluorophenyl)sulfanylacetamide (CID 7737211) is N-[(1S)-1-(2-chlorophenyl)ethyl]-2-(3,4-difluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-[(1S)-1-(2-chlorophenyl)ethyl]-2-(3,4-difluorophenyl)sulfanylacetamide?
The canonical SMILES for N-[(1S)-1-(2-chlorophenyl)ethyl]-2-(3,4-difluorophenyl)sulfanylacetamide is C[C@H](NC(=O)CSc1ccc(F)c(F)c1)c1ccccc1Cl.
What is the InChIKey of N-[(1S)-1-(2-chlorophenyl)ethyl]-2-(3,4-difluorophenyl)sulfanylacetamide?
The InChIKey is ONAUPHPSZPBKSO-JTQLQIEISA-N. The full InChI is InChI=1S/C16H14ClF2NOS/c1-10(12-4-2-3-5-13(12)17)20-16(21)9-22-11-6-7-14(18)15(19)8-11/h2-8,10H,9H2,1H3,(H,20,21)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(2-chlorophenyl)ethyl]-2-(3,4-difluorophenyl)sulfanylacetamide?
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-(3,4-difluorophenyl)sulfanylacetamide has a molecular weight of 341.81 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-chlorophenyl)ethyl]-2-(3,4-difluorophenyl)sulfanylacetamide is sourced from PubChem (CID 7737211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).