N-ethyl-3-(methylsulfanylmethyl)benzamide

C11H15NOS — CID 60667675

IUPACN-ethyl-3-(methylsulfanylmethyl)benzamide
SMILESCCNC(=O)c1cccc(CSC)c1
InChIInChI=1S/C11H15NOS/c1-3-12-11(13)10-6-4-5-9(7-10)8-14-2/h4-7H,3,8H2,1-2H3,(H,12,13)
InChIKeyCHHHYMLNIYLUCD-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.30
Rot. Bonds4

About N-ethyl-3-(methylsulfanylmethyl)benzamide

N-ethyl-3-(methylsulfanylmethyl)benzamide (PubChem CID 60667675) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is N-ethyl-3-(methylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-ethyl-3-(methylsulfanylmethyl)benzamide
PubChem CID60667675
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC NameN-ethyl-3-(methylsulfanylmethyl)benzamide
SMILESCCNC(=O)c1cccc(CSC)c1
InChIInChI=1S/C11H15NOS/c1-3-12-11(13)10-6-4-5-9(7-10)8-14-2/h4-7H,3,8H2,1-2H3,(H,12,13)
InChIKeyCHHHYMLNIYLUCD-UHFFFAOYSA-N
XLogP2.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-3-(methylsulfanylmethyl)benzamide
CID 9470598
3-(methylsulfanylmethyl)-N-prop-2-enylbenzamide
CID 60667719
N-(3-hydroxypentyl)-3-(methylsulfanylmethyl)benzamide
CID 115703473
3-(aminomethyl)-N-ethylbenzamide
CID 16777664
N-(3-hydroxy-2-methylpropyl)-3-(methylsulfanylmethyl)benzamide
CID 65031487
(2S)-2-hydroxy-3-[[3-(methylsulfanylmethyl)benzoyl]amino]propanoic acid
CID 114006434
N-(2,2-difluoro-3-hydroxypropyl)-3-(methylsulfanylmethyl)benzamide
CID 104858070
N-[(2-chlorophenyl)methyl]-3-(methylsulfanylmethyl)benzamide
CID 9209764
3-(methylsulfanylmethyl)-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 114182043
(2R)-3-hydroxy-2-[[3-(methylsulfanylmethyl)benzoyl]amino]propanoic acid
CID 80749917
N-ethyl-3-(2-phenylethenylsulfanylmethyl)benzamide
CID 175270177
3-(methylsulfanylmethyl)benzoate
CID 7129113

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(methylsulfanylmethyl)benzamide?
The IUPAC name of N-ethyl-3-(methylsulfanylmethyl)benzamide (CID 60667675) is N-ethyl-3-(methylsulfanylmethyl)benzamide.
What is the SMILES notation for N-ethyl-3-(methylsulfanylmethyl)benzamide?
The canonical SMILES for N-ethyl-3-(methylsulfanylmethyl)benzamide is CCNC(=O)c1cccc(CSC)c1.
What is the InChIKey of N-ethyl-3-(methylsulfanylmethyl)benzamide?
The InChIKey is CHHHYMLNIYLUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-3-12-11(13)10-6-4-5-9(7-10)8-14-2/h4-7H,3,8H2,1-2H3,(H,12,13).
What are the key properties of N-ethyl-3-(methylsulfanylmethyl)benzamide?
N-ethyl-3-(methylsulfanylmethyl)benzamide has a molecular weight of 209.31 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(methylsulfanylmethyl)benzamide is sourced from PubChem (CID 60667675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).