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

C13H19NOS — CID 115191334

IUPACN-[2-(4-ethylsulfanylphenyl)ethyl]-N-methylacetamide
SMILESCCSc1ccc(CCN(C)C(C)=O)cc1
InChIInChI=1S/C13H19NOS/c1-4-16-13-7-5-12(6-8-13)9-10-14(3)11(2)15/h5-8H,4,9-10H2,1-3H3
InChIKeyUEYGVKBZPDPFAP-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.82
Rot. Bonds5

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

N-[2-(4-ethylsulfanylphenyl)ethyl]-N-methylacetamide (PubChem CID 115191334) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is N-[2-(4-ethylsulfanylphenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(4-ethylsulfanylphenyl)ethyl]-N-methylacetamide
PubChem CID115191334
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC NameN-[2-(4-ethylsulfanylphenyl)ethyl]-N-methylacetamide
SMILESCCSc1ccc(CCN(C)C(C)=O)cc1
InChIInChI=1S/C13H19NOS/c1-4-16-13-7-5-12(6-8-13)9-10-14(3)11(2)15/h5-8H,4,9-10H2,1-3H3
InChIKeyUEYGVKBZPDPFAP-UHFFFAOYSA-N
XLogP2.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-ethylsulfanylphenyl)ethyl]-1-methylurea
CID 115168679
2-[2-(4-ethylsulfanylphenyl)ethyl-methylamino]acetic acid
CID 115005512
4-(4-ethylsulfanylphenyl)butan-2-one
CID 96657765
N-methyl-N-[2-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 115191266
N-[2-(4-ethylsulfanylphenyl)ethyl]acetamide
CID 110790662
N-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]-2-oxopropanamide
CID 115176052
N-methyl-N-[2-(4-phenoxyphenyl)ethyl]acetamide
CID 115191288
N-[2-(4-ethylsulfanylphenyl)ethyl]-2-oxopropanamide
CID 115175935
2-[2-(4-ethylsulfanylphenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 115129723
3-N-[2-(4-ethylsulfanylphenyl)ethyl]-3-N-methylbutane-1,3-diamine
CID 117040479
1-amino-3-[2-(4-ethylsulfanylphenyl)ethyl]urea
CID 115192940
1-[2-(4-ethylphenyl)ethyl]-1-methylurea
CID 115168590

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylsulfanylphenyl)ethyl]-N-methylacetamide?
The IUPAC name of N-[2-(4-ethylsulfanylphenyl)ethyl]-N-methylacetamide (CID 115191334) is N-[2-(4-ethylsulfanylphenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for N-[2-(4-ethylsulfanylphenyl)ethyl]-N-methylacetamide?
The canonical SMILES for N-[2-(4-ethylsulfanylphenyl)ethyl]-N-methylacetamide is CCSc1ccc(CCN(C)C(C)=O)cc1.
What is the InChIKey of N-[2-(4-ethylsulfanylphenyl)ethyl]-N-methylacetamide?
The InChIKey is UEYGVKBZPDPFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-4-16-13-7-5-12(6-8-13)9-10-14(3)11(2)15/h5-8H,4,9-10H2,1-3H3.
What are the key properties of N-[2-(4-ethylsulfanylphenyl)ethyl]-N-methylacetamide?
N-[2-(4-ethylsulfanylphenyl)ethyl]-N-methylacetamide has a molecular weight of 237.37 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylsulfanylphenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 115191334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).