N-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide

C17H17ClFNOS — CID 112790301

IUPACN-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide
SMILESCN(Cc1ccccc1Cl)C(=O)CCSc1ccc(F)cc1
InChIInChI=1S/C17H17ClFNOS/c1-20(12-13-4-2-3-5-16(13)18)17(21)10-11-22-15-8-6-14(19)7-9-15/h2-9H,10-12H2,1H3
InChIKeyGQDKTMWOGCSHOE-UHFFFAOYSA-N
MW337.85 g/mol
LogP4.62
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide

N-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide (PubChem CID 112790301) has the molecular formula C17H17ClFNOS and a molecular weight of 337.85 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide
PubChem CID112790301
Molecular FormulaC17H17ClFNOS
Molecular Weight337.85 g/mol
Exact Mass337.07
IUPAC NameN-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide
SMILESCN(Cc1ccccc1Cl)C(=O)CCSc1ccc(F)cc1
InChIInChI=1S/C17H17ClFNOS/c1-20(12-13-4-2-3-5-16(13)18)17(21)10-11-22-15-8-6-14(19)7-9-15/h2-9H,10-12H2,1H3
InChIKeyGQDKTMWOGCSHOE-UHFFFAOYSA-N
XLogP4.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chloro-6-fluorobenzyl)thio]-N-(2-phenylethyl)acetamide
CID 961752
N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 2265253
N-[(2-Chlorophenyl)methyl]-3-{[(3-chlorophenyl)methyl]sulfanyl}propanamide
CID 4219372
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-(2-chlorobenzyl)-3-[(2-fluorobenzyl)sulfonyl]propanamide
CID 4148310
2-(2,4-dichlorophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide
CID 71229976
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-2-phenylsulfanylpropanamide
CID 24818026
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

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide (CID 112790301) is N-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide is CN(Cc1ccccc1Cl)C(=O)CCSc1ccc(F)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide?
The InChIKey is GQDKTMWOGCSHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNOS/c1-20(12-13-4-2-3-5-16(13)18)17(21)10-11-22-15-8-6-14(19)7-9-15/h2-9H,10-12H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide?
N-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide has a molecular weight of 337.85 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide is sourced from PubChem (CID 112790301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).