N-[2-(4-ethylsulfanylphenyl)ethyl]acetamide

C12H17NOS — CID 110790662

IUPACN-[2-(4-ethylsulfanylphenyl)ethyl]acetamide
SMILESCCSc1ccc(CCNC(C)=O)cc1
InChIInChI=1S/C12H17NOS/c1-3-15-12-6-4-11(5-7-12)8-9-13-10(2)14/h4-7H,3,8-9H2,1-2H3,(H,13,14)
InChIKeyWJUDOVWSJCQITE-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.48
Rot. Bonds5

About N-[2-(4-ethylsulfanylphenyl)ethyl]acetamide

N-[2-(4-ethylsulfanylphenyl)ethyl]acetamide (PubChem CID 110790662) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is N-[2-(4-ethylsulfanylphenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-ethylsulfanylphenyl)ethyl]acetamide
PubChem CID110790662
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC NameN-[2-(4-ethylsulfanylphenyl)ethyl]acetamide
SMILESCCSc1ccc(CCNC(C)=O)cc1
InChIInChI=1S/C12H17NOS/c1-3-15-12-6-4-11(5-7-12)8-9-13-10(2)14/h4-7H,3,8-9H2,1-2H3,(H,13,14)
InChIKeyWJUDOVWSJCQITE-UHFFFAOYSA-N
XLogP2.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(4-ethylsulfanylphenyl)ethyl]acetamide 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-(4-ethylsulfanylphenyl)ethyl]-2-oxopropanamide
CID 115175935
1-amino-3-[2-(4-ethylsulfanylphenyl)ethyl]urea
CID 115192940
2-(ethylamino)-N-[2-(4-ethylsulfanylphenyl)ethyl]acetamide
CID 115158053
N-[2-(4-ethylsulfanylphenyl)ethyl]cyclopropanecarboxamide
CID 110790666
4-(4-ethylsulfanylphenyl)butan-2-one
CID 96657765
N-[2-[4-[2-(4-methylphenyl)sulfanylacetyl]phenyl]ethyl]acetamide
CID 38906488
3-[2-(4-ethylsulfanylphenyl)ethylamino]propanoic acid
CID 115005515
1-cyclopentyl-3-[2-(4-ethylsulfanylphenyl)ethyl]urea
CID 110776107
N-[2-(4-methylphenyl)ethyl]acetamide;hydrochloride
CID 67025739
N-[2-(4-ethylsulfanylphenyl)ethyl]pyridine-2-carboxamide
CID 110795974
methyl 3-[2-(4-ethylsulfanylphenyl)ethylamino]propanoate
CID 115232521
ethane;N-[2-(4-methylphenyl)ethyl]acetamide;molecular hydrogen
CID 142068448

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylsulfanylphenyl)ethyl]acetamide?
The IUPAC name of N-[2-(4-ethylsulfanylphenyl)ethyl]acetamide (CID 110790662) is N-[2-(4-ethylsulfanylphenyl)ethyl]acetamide.
What is the SMILES notation for N-[2-(4-ethylsulfanylphenyl)ethyl]acetamide?
The canonical SMILES for N-[2-(4-ethylsulfanylphenyl)ethyl]acetamide is CCSc1ccc(CCNC(C)=O)cc1.
What is the InChIKey of N-[2-(4-ethylsulfanylphenyl)ethyl]acetamide?
The InChIKey is WJUDOVWSJCQITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-3-15-12-6-4-11(5-7-12)8-9-13-10(2)14/h4-7H,3,8-9H2,1-2H3,(H,13,14).
What are the key properties of N-[2-(4-ethylsulfanylphenyl)ethyl]acetamide?
N-[2-(4-ethylsulfanylphenyl)ethyl]acetamide has a molecular weight of 223.34 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylsulfanylphenyl)ethyl]acetamide is sourced from PubChem (CID 110790662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).