2-[1-(4-chlorophenyl)ethylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide

C18H20ClNOS — CID 60560991

IUPAC2-[1-(4-chlorophenyl)ethylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CNC(=O)CSC(C)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNOS/c1-13-5-3-4-6-16(13)11-20-18(21)12-22-14(2)15-7-9-17(19)10-8-15/h3-10,14H,11-12H2,1-2H3,(H,20,21)
InChIKeyYWEOGPXLPVMRDX-UHFFFAOYSA-N
MW333.88 g/mol
LogP4.76
Rot. Bonds6

About 2-[1-(4-chlorophenyl)ethylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide

2-[1-(4-chlorophenyl)ethylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 60560991) has the molecular formula C18H20ClNOS and a molecular weight of 333.88 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)ethylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)ethylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide
PubChem CID60560991
Molecular FormulaC18H20ClNOS
Molecular Weight333.88 g/mol
Exact Mass333.10
IUPAC Name2-[1-(4-chlorophenyl)ethylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CNC(=O)CSC(C)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNOS/c1-13-5-3-4-6-16(13)11-20-18(21)12-22-14(2)15-7-9-17(19)10-8-15/h3-10,14H,11-12H2,1-2H3,(H,20,21)
InChIKeyYWEOGPXLPVMRDX-UHFFFAOYSA-N
XLogP4.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.88
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-methylphenyl)ethyl]-2-(1-phenylethylsulfanyl)acetamide
CID 78851393
N-[(2-methylphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide
CID 9104654
2-chloro-N-[(2-methylphenyl)methyl]acetamide
CID 9291148
1-[(4-chlorophenyl)methyl]-3-[(2-methylphenyl)methyl]urea
CID 108897128
[(1S)-1-(3-chlorophenyl)ethyl]-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]azanium
CID 8599402
[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
CID 9133008
N'-(4-chloro-2-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945452
N-[3-[[2-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]amino]propyl]-2-methylpropanamide
CID 97077393
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 8693460
N-[(2-methylphenyl)methyl]-2-[(2-methylphenyl)methylamino]acetamide
CID 108996489
2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[(2-methylphenyl)methyl]acetamide
CID 8638816
N-[(2-methylphenyl)methyl]-N'-(2-methylpropyl)propanediamide
CID 108941562

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)ethylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[1-(4-chlorophenyl)ethylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide (CID 60560991) is 2-[1-(4-chlorophenyl)ethylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)ethylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)ethylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide is Cc1ccccc1CNC(=O)CSC(C)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)ethylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is YWEOGPXLPVMRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNOS/c1-13-5-3-4-6-16(13)11-20-18(21)12-22-14(2)15-7-9-17(19)10-8-15/h3-10,14H,11-12H2,1-2H3,(H,20,21).
What are the key properties of 2-[1-(4-chlorophenyl)ethylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide?
2-[1-(4-chlorophenyl)ethylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 333.88 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)ethylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 60560991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).