2-(2,4-dichlorophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide

C16H14Cl2FNOS — CID 71229976

IUPAC2-(2,4-dichlorophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide
SMILESCC(Sc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C16H14Cl2FNOS/c1-10(22-15-7-4-12(17)8-14(15)18)16(21)20-9-11-2-5-13(19)6-3-11/h2-8,10H,9H2,1H3,(H,20,21)
InChIKeyAKPANXSFWRJHJI-UHFFFAOYSA-N
MW358.27 g/mol
LogP4.93
Rot. Bonds5

About 2-(2,4-dichlorophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide

2-(2,4-dichlorophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide (PubChem CID 71229976) has the molecular formula C16H14Cl2FNOS and a molecular weight of 358.27 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide
PubChem CID71229976
Molecular FormulaC16H14Cl2FNOS
Molecular Weight358.27 g/mol
Exact Mass357.02
IUPAC Name2-(2,4-dichlorophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide
SMILESCC(Sc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C16H14Cl2FNOS/c1-10(22-15-7-4-12(17)8-14(15)18)16(21)20-9-11-2-5-13(19)6-3-11/h2-8,10H,9H2,1H3,(H,20,21)
InChIKeyAKPANXSFWRJHJI-UHFFFAOYSA-N
XLogP4.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]propanamide
CID 2265248
N-[(2-Chloro-4-fluorophenyl)methyl]-3-{[(2-chlorophenyl)methyl]sulfanyl}propanamide
CID 4987746
N-[(2-Chloro-4-fluorophenyl)methyl]-3-{[(4-chlorophenyl)methyl]sulfanyl}propanamide
CID 16034235
N-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 2105395
N-benzyl-2-(4-chlorobenzenesulfonyl)acetamide
CID 7543995
1-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 15995228
N-[(4-chlorophenyl)methyl]-2-[ethyl-[2-(2-fluorophenyl)sulfanylacetyl]amino]acetamide
CID 24982639
3-(2-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]propanamide
CID 2462603
N-[(2-Chloro-4-fluorophenyl)methyl]-3-{[(4-methylphenyl)methyl]sulfanyl}propanamide
CID 4086398
N-[(2-Chloro-4-fluorophenyl)methyl]-3-{[(3-chlorophenyl)methyl]sulfanyl}propanamide
CID 5057437
N-[(4-chlorophenyl)methyl]-2-[ethyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide
CID 16552641
N-(3-chloro-4-fluorobenzyl)-2-(4-chlorophenylsulfonyl)-2-methylpropanamide
CID 44569557

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide?
The IUPAC name of 2-(2,4-dichlorophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide (CID 71229976) is 2-(2,4-dichlorophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide is CC(Sc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of 2-(2,4-dichlorophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide?
The InChIKey is AKPANXSFWRJHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FNOS/c1-10(22-15-7-4-12(17)8-14(15)18)16(21)20-9-11-2-5-13(19)6-3-11/h2-8,10H,9H2,1H3,(H,20,21).
What are the key properties of 2-(2,4-dichlorophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide?
2-(2,4-dichlorophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide has a molecular weight of 358.27 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 71229976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).