2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide

C15H15ClFNOS2 — CID 37017604

IUPAC2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
SMILESCc1cc(CNC(=O)CSCc2ccc(Cl)s2)ccc1F
InChIInChI=1S/C15H15ClFNOS2/c1-10-6-11(2-4-13(10)17)7-18-15(19)9-20-8-12-3-5-14(16)21-12/h2-6H,7-9H2,1H3,(H,18,19)
InChIKeyQNVJBOVXPQGMER-UHFFFAOYSA-N
MW343.88 g/mol
LogP4.40
Rot. Bonds6

About 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide

2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide (PubChem CID 37017604) has the molecular formula C15H15ClFNOS2 and a molecular weight of 343.88 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
PubChem CID37017604
Molecular FormulaC15H15ClFNOS2
Molecular Weight343.88 g/mol
Exact Mass343.03
IUPAC Name2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
SMILESCc1cc(CNC(=O)CSCc2ccc(Cl)s2)ccc1F
InChIInChI=1S/C15H15ClFNOS2/c1-10-6-11(2-4-13(10)17)7-18-15(19)9-20-8-12-3-5-14(16)21-12/h2-6H,7-9H2,1H3,(H,18,19)
InChIKeyQNVJBOVXPQGMER-UHFFFAOYSA-N
XLogP4.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.88
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 60711247
N-[(4-fluoro-3-methylphenyl)methyl]-2-(1-hydroxypropan-2-ylsulfanyl)acetamide
CID 112695416
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methoxyacetamide
CID 60701138
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
CID 30580573
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2,3-dihydroxypropyl)acetamide
CID 66177472
2-(1-aminopropan-2-ylsulfanyl)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
CID 66218348
2-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanyl-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
CID 24575311
methyl 4-[(4-fluoro-3-methylphenyl)methylamino]-4-oxobutanoate
CID 110779721
2-[[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]methyl]butanoic acid
CID 65218089
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2-hydroxypentyl)acetamide
CID 115700723
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 8623417
N-[(5-bromothiophen-2-yl)methyl]-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 33295688

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide (CID 37017604) is 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide is Cc1cc(CNC(=O)CSCc2ccc(Cl)s2)ccc1F.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide?
The InChIKey is QNVJBOVXPQGMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNOS2/c1-10-6-11(2-4-13(10)17)7-18-15(19)9-20-8-12-3-5-14(16)21-12/h2-6H,7-9H2,1H3,(H,18,19).
What are the key properties of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide?
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide has a molecular weight of 343.88 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 37017604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).