N-(2,5-dimethylphenyl)-2-(4-sulfanylphenyl)acetamide

C16H17NOS — CID 107020877

IUPACN-(2,5-dimethylphenyl)-2-(4-sulfanylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)Cc2ccc(S)cc2)c1
InChIInChI=1S/C16H17NOS/c1-11-3-4-12(2)15(9-11)17-16(18)10-13-5-7-14(19)8-6-13/h3-9,19H,10H2,1-2H3,(H,17,18)
InChIKeyRUEGKTRYXQRKKU-UHFFFAOYSA-N
MW271.38 g/mol
LogP3.77
Rot. Bonds3

About N-(2,5-dimethylphenyl)-2-(4-sulfanylphenyl)acetamide

N-(2,5-dimethylphenyl)-2-(4-sulfanylphenyl)acetamide (PubChem CID 107020877) has the molecular formula C16H17NOS and a molecular weight of 271.38 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-(4-sulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-(4-sulfanylphenyl)acetamide
PubChem CID107020877
Molecular FormulaC16H17NOS
Molecular Weight271.38 g/mol
Exact Mass271.10
IUPAC NameN-(2,5-dimethylphenyl)-2-(4-sulfanylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)Cc2ccc(S)cc2)c1
InChIInChI=1S/C16H17NOS/c1-11-3-4-12(2)15(9-11)17-16(18)10-13-5-7-14(19)8-6-13/h3-9,19H,10H2,1-2H3,(H,17,18)
InChIKeyRUEGKTRYXQRKKU-UHFFFAOYSA-N
XLogP3.77
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dimethylphenyl)-2-(4-methylphenyl)acetamide
CID 889351
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112996467
N-(2,5-dimethylphenyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide
CID 112520811
N-(2,5-dimethylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 78991426
N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)methylamino]acetamide
CID 108997079
N-(2,5-dimethylphenyl)-2-(methylamino)acetamide
CID 2396341
N-(4-methoxy-2-methylphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107028761
N-(2,5-dimethylphenyl)-2-(2-fluorophenyl)acetamide
CID 2596673
N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 8712604
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 7759288
2-[4-(aminomethyl)phenyl]-N-(2,4-dimethylphenyl)acetamide
CID 63590839
2-(4-bromophenyl)-N-(2,4-dimethylphenyl)acetamide
CID 2600129

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-(4-sulfanylphenyl)acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-(4-sulfanylphenyl)acetamide (CID 107020877) is N-(2,5-dimethylphenyl)-2-(4-sulfanylphenyl)acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-(4-sulfanylphenyl)acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-(4-sulfanylphenyl)acetamide is Cc1ccc(C)c(NC(=O)Cc2ccc(S)cc2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-(4-sulfanylphenyl)acetamide?
The InChIKey is RUEGKTRYXQRKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-11-3-4-12(2)15(9-11)17-16(18)10-13-5-7-14(19)8-6-13/h3-9,19H,10H2,1-2H3,(H,17,18).
What are the key properties of N-(2,5-dimethylphenyl)-2-(4-sulfanylphenyl)acetamide?
N-(2,5-dimethylphenyl)-2-(4-sulfanylphenyl)acetamide has a molecular weight of 271.38 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-(4-sulfanylphenyl)acetamide is sourced from PubChem (CID 107020877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).