N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide

C18H21NOS — CID 8712604

IUPACN-(2,5-dimethylphenyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccc(CSCC(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C18H21NOS/c1-13-5-8-16(9-6-13)11-21-12-18(20)19-17-10-14(2)4-7-15(17)3/h4-10H,11-12H2,1-3H3,(H,19,20)
InChIKeyHONCCIZXZRGIKG-UHFFFAOYSA-N
MW299.44 g/mol
LogP4.48
Rot. Bonds5

About N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide

N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide (PubChem CID 8712604) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
PubChem CID8712604
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC NameN-(2,5-dimethylphenyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccc(CSCC(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C18H21NOS/c1-13-5-8-16(9-6-13)11-21-12-18(20)19-17-10-14(2)4-7-15(17)3/h4-10H,11-12H2,1-3H3,(H,19,20)
InChIKeyHONCCIZXZRGIKG-UHFFFAOYSA-N
XLogP4.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chlorophenyl)methylsulfanyl]-N-(2,5-dimethylphenyl)acetamide
CID 846748
N-(2,5-dimethylphenyl)-2-(4-methylphenyl)acetamide
CID 889351
N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)methylamino]acetamide
CID 108997079
3-benzylsulfanyl-N-(2,5-dimethylphenyl)propanamide
CID 8797847
N-(2,5-dimethylphenyl)-2-[[4-ethyl-5-[(4-methylphenyl)methylsulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 126363448
2-amino-3-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanylpropanoic acid
CID 43385259
N-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 18081104
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112996467
methyl 3-[[2-[(4-bromophenyl)methylsulfanyl]acetyl]amino]-4-methylbenzoate
CID 2968046
N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
CID 24604643
N-(2,5-dimethylphenyl)-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 26500071
2-[(4-methylphenyl)methylsulfanyl]-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 9141145

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide (CID 8712604) is N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide is Cc1ccc(CSCC(=O)Nc2cc(C)ccc2C)cc1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is HONCCIZXZRGIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-13-5-8-16(9-6-13)11-21-12-18(20)19-17-10-14(2)4-7-15(17)3/h4-10H,11-12H2,1-3H3,(H,19,20).
What are the key properties of N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide?
N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 299.44 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 8712604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).