N,N,3-trimethyl-4-(2-methylsulfanylethyl)benzamide

C13H19NOS — CID 70933125

IUPACN,N,3-trimethyl-4-(2-methylsulfanylethyl)benzamide
SMILESCSCCc1ccc(C(=O)N(C)C)cc1C
InChIInChI=1S/C13H19NOS/c1-10-9-12(13(15)14(2)3)6-5-11(10)7-8-16-4/h5-6,9H,7-8H2,1-4H3
InChIKeyUSTGKWYEIKVKEB-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.60
Rot. Bonds4

About N,N,3-trimethyl-4-(2-methylsulfanylethyl)benzamide

N,N,3-trimethyl-4-(2-methylsulfanylethyl)benzamide (PubChem CID 70933125) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is N,N,3-trimethyl-4-(2-methylsulfanylethyl)benzamide.

Molecular Properties

Compound NameN,N,3-trimethyl-4-(2-methylsulfanylethyl)benzamide
PubChem CID70933125
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC NameN,N,3-trimethyl-4-(2-methylsulfanylethyl)benzamide
SMILESCSCCc1ccc(C(=O)N(C)C)cc1C
InChIInChI=1S/C13H19NOS/c1-10-9-12(13(15)14(2)3)6-5-11(10)7-8-16-4/h5-6,9H,7-8H2,1-4H3
InChIKeyUSTGKWYEIKVKEB-UHFFFAOYSA-N
XLogP2.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-N,N,3-trimethylbenzamide
CID 150723672
4-hydroxy-N,N,3-trimethylbenzamide
CID 59263635
4-amino-N,3-dimethyl-N-(2-methylsulfanylethyl)benzamide
CID 112656332
4-tert-butyl-N,N,3-trimethylbenzamide
CID 118473510
4-formyl-N,N,3-trimethylbenzamide
CID 131310713
4-hydrazinyl-N,N,3-trimethylbenzamide
CID 63211691
2-[4-(dimethylcarbamoyl)-2-fluorophenyl]acetic acid
CID 70501184
4-ethynyl-N,N,3-trimethylbenzamide
CID 154827540
1-(3-methyl-4-propylphenyl)ethanone
CID 118119464
4-(bromomethyl)-3-fluoro-N,N-dimethylbenzamide
CID 135152216
N,N,2-trimethyl-4-[(E)-pent-2-en-3-yl]benzamide
CID 177353705
N,N,4-trimethyl-3-methylsulfonylbenzamide
CID 118473526

Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-4-(2-methylsulfanylethyl)benzamide?
The IUPAC name of N,N,3-trimethyl-4-(2-methylsulfanylethyl)benzamide (CID 70933125) is N,N,3-trimethyl-4-(2-methylsulfanylethyl)benzamide.
What is the SMILES notation for N,N,3-trimethyl-4-(2-methylsulfanylethyl)benzamide?
The canonical SMILES for N,N,3-trimethyl-4-(2-methylsulfanylethyl)benzamide is CSCCc1ccc(C(=O)N(C)C)cc1C.
What is the InChIKey of N,N,3-trimethyl-4-(2-methylsulfanylethyl)benzamide?
The InChIKey is USTGKWYEIKVKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-10-9-12(13(15)14(2)3)6-5-11(10)7-8-16-4/h5-6,9H,7-8H2,1-4H3.
What are the key properties of N,N,3-trimethyl-4-(2-methylsulfanylethyl)benzamide?
N,N,3-trimethyl-4-(2-methylsulfanylethyl)benzamide has a molecular weight of 237.37 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyl-4-(2-methylsulfanylethyl)benzamide is sourced from PubChem (CID 70933125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).