N-(2-chloro-4-methylphenyl)-2-(4-methylsulfanylphenoxy)acetamide

C16H16ClNO2S — CID 7893677

IUPACN-(2-chloro-4-methylphenyl)-2-(4-methylsulfanylphenoxy)acetamide
SMILESCSc1ccc(OCC(=O)Nc2ccc(C)cc2Cl)cc1
InChIInChI=1S/C16H16ClNO2S/c1-11-3-8-15(14(17)9-11)18-16(19)10-20-12-4-6-13(21-2)7-5-12/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyLORXZEKWLPCNSP-UHFFFAOYSA-N
MW321.83 g/mol
LogP4.39
Rot. Bonds5

About N-(2-chloro-4-methylphenyl)-2-(4-methylsulfanylphenoxy)acetamide

N-(2-chloro-4-methylphenyl)-2-(4-methylsulfanylphenoxy)acetamide (PubChem CID 7893677) has the molecular formula C16H16ClNO2S and a molecular weight of 321.83 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-(4-methylsulfanylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-(4-methylsulfanylphenoxy)acetamide
PubChem CID7893677
Molecular FormulaC16H16ClNO2S
Molecular Weight321.83 g/mol
Exact Mass321.06
IUPAC NameN-(2-chloro-4-methylphenyl)-2-(4-methylsulfanylphenoxy)acetamide
SMILESCSc1ccc(OCC(=O)Nc2ccc(C)cc2Cl)cc1
InChIInChI=1S/C16H16ClNO2S/c1-11-3-8-15(14(17)9-11)18-16(19)10-20-12-4-6-13(21-2)7-5-12/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyLORXZEKWLPCNSP-UHFFFAOYSA-N
XLogP4.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-methylphenyl)-2-naphthalen-2-yloxyacetamide
CID 7926753
N-(2-chloro-4-methylphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 7643135
N-(2,4-dichlorophenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 2515961
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 4-(4-methylsulfanylphenyl)-4-oxobutanoate
CID 7829271
2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methylphenyl]acetamide
CID 1293205
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-phenoxyacetate
CID 2507011
2-(1,3-benzodioxol-5-yloxy)-N-(2-chloro-4-methylphenyl)acetamide
CID 7894417
N-(2-chloro-4-methylphenyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
CID 7602844
N-(2,6-dibromo-4-methylphenyl)-2-(4-methylsulfanylphenoxy)acetamide
CID 26217402
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(4-formylphenoxy)acetate
CID 2524042
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 7855164
2-(4-bromophenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 874144

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-(4-methylsulfanylphenoxy)acetamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-(4-methylsulfanylphenoxy)acetamide (CID 7893677) is N-(2-chloro-4-methylphenyl)-2-(4-methylsulfanylphenoxy)acetamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-(4-methylsulfanylphenoxy)acetamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-(4-methylsulfanylphenoxy)acetamide is CSc1ccc(OCC(=O)Nc2ccc(C)cc2Cl)cc1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-(4-methylsulfanylphenoxy)acetamide?
The InChIKey is LORXZEKWLPCNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2S/c1-11-3-8-15(14(17)9-11)18-16(19)10-20-12-4-6-13(21-2)7-5-12/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-(4-methylsulfanylphenoxy)acetamide?
N-(2-chloro-4-methylphenyl)-2-(4-methylsulfanylphenoxy)acetamide has a molecular weight of 321.83 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-(4-methylsulfanylphenoxy)acetamide is sourced from PubChem (CID 7893677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).