N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenylsulfanylacetamide

C16H16ClNO2S — CID 895197

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-phenylsulfanylacetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CSc1ccccc1
InChIInChI=1S/C16H16ClNO2S/c1-11-8-14(15(20-2)9-13(11)17)18-16(19)10-21-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyMFNQRHAVIDJQTN-UHFFFAOYSA-N
MW321.83 g/mol
LogP4.39
Rot. Bonds5

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenylsulfanylacetamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenylsulfanylacetamide (PubChem CID 895197) has the molecular formula C16H16ClNO2S and a molecular weight of 321.83 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-phenylsulfanylacetamide
PubChem CID895197
Molecular FormulaC16H16ClNO2S
Molecular Weight321.83 g/mol
Exact Mass321.06
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-phenylsulfanylacetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CSc1ccccc1
InChIInChI=1S/C16H16ClNO2S/c1-11-8-14(15(20-2)9-13(11)17)18-16(19)10-21-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyMFNQRHAVIDJQTN-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-(4-chloro-2-methoxy-5-methylphenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 7402984
N-[4-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]sulfanylphenyl]butanamide
CID 19631628
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-phenylpropanediamide
CID 108952893
N-[3-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]sulfanylphenyl]-3-methylbenzamide
CID 18906791
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 3515745
N-[4-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]sulfanylphenyl]-4-fluorobenzamide
CID 23095274
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 6416597
N-[3-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]sulfanylphenyl]-4-fluorobenzamide
CID 18904199
N-[3-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide
CID 18903335
N-(4-chloro-2-methoxy-5-methylphenyl)-3-phenylbutanamide
CID 4262485
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-phenoxypropylsulfanyl)acetamide
CID 41244659
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 2088056

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenylsulfanylacetamide (CID 895197) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenylsulfanylacetamide is COc1cc(Cl)c(C)cc1NC(=O)CSc1ccccc1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenylsulfanylacetamide?
The InChIKey is MFNQRHAVIDJQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2S/c1-11-8-14(15(20-2)9-13(11)17)18-16(19)10-21-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenylsulfanylacetamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenylsulfanylacetamide 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-(4-chloro-2-methoxy-5-methylphenyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 895197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).