N-(2-acetamidoethyl)-2-methyl-5-methylsulfanylbenzamide

C13H18N2O2S — CID 47149231

IUPACN-(2-acetamidoethyl)-2-methyl-5-methylsulfanylbenzamide
SMILESCSc1ccc(C)c(C(=O)NCCNC(C)=O)c1
InChIInChI=1S/C13H18N2O2S/c1-9-4-5-11(18-3)8-12(9)13(17)15-7-6-14-10(2)16/h4-5,8H,6-7H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyWCQVFDKYVCBNRR-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.58
Rot. Bonds5

About N-(2-acetamidoethyl)-2-methyl-5-methylsulfanylbenzamide

N-(2-acetamidoethyl)-2-methyl-5-methylsulfanylbenzamide (PubChem CID 47149231) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-methyl-5-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-methyl-5-methylsulfanylbenzamide
PubChem CID47149231
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-(2-acetamidoethyl)-2-methyl-5-methylsulfanylbenzamide
SMILESCSc1ccc(C)c(C(=O)NCCNC(C)=O)c1
InChIInChI=1S/C13H18N2O2S/c1-9-4-5-11(18-3)8-12(9)13(17)15-7-6-14-10(2)16/h4-5,8H,6-7H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyWCQVFDKYVCBNRR-UHFFFAOYSA-N
XLogP1.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-acetamidoethyl)-2-methyl-5-methylsulfanylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-hydroxy-2-methylpropyl)-2-methyl-5-methylsulfanylbenzamide
CID 65110031
N-(2-aminoethyl)-2-chloro-5-methylsulfanylbenzamide
CID 61379070
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-methyl-5-methylsulfanylbenzamide
CID 111565791
2-methoxy-3-[(2-methyl-5-methylsulfanylbenzoyl)amino]propanoic acid
CID 106107843
N-(2-methoxyethoxy)-2-methyl-5-methylsulfanylbenzamide
CID 79676305
2-methyl-5-methylsulfanyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 54883628
N-(1-amino-2-methylpropan-2-yl)-2-methyl-5-methylsulfanylbenzamide
CID 119522951
N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-methyl-5-methylsulfanylbenzamide
CID 111662633
N-[2-(dimethylamino)-2-phenylethyl]-2-methyl-5-methylsulfanylbenzamide
CID 134018244
2-methyl-2-[(2-methyl-5-methylsulfanylbenzoyl)amino]propanoic acid
CID 61261706
N-(2-bromoethyl)-2-chloro-5-methylsulfanylbenzamide
CID 114307468
N-(2-amino-1-cyclopropylethyl)-2-methyl-5-methylsulfanylbenzamide
CID 119614910

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-methyl-5-methylsulfanylbenzamide?
The IUPAC name of N-(2-acetamidoethyl)-2-methyl-5-methylsulfanylbenzamide (CID 47149231) is N-(2-acetamidoethyl)-2-methyl-5-methylsulfanylbenzamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-methyl-5-methylsulfanylbenzamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-methyl-5-methylsulfanylbenzamide is CSc1ccc(C)c(C(=O)NCCNC(C)=O)c1.
What is the InChIKey of N-(2-acetamidoethyl)-2-methyl-5-methylsulfanylbenzamide?
The InChIKey is WCQVFDKYVCBNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-9-4-5-11(18-3)8-12(9)13(17)15-7-6-14-10(2)16/h4-5,8H,6-7H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of N-(2-acetamidoethyl)-2-methyl-5-methylsulfanylbenzamide?
N-(2-acetamidoethyl)-2-methyl-5-methylsulfanylbenzamide has a molecular weight of 266.37 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-methyl-5-methylsulfanylbenzamide is sourced from PubChem (CID 47149231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).