N-[2-(dimethylamino)ethyl]-3-methylsulfanylbenzamide

C12H18N2OS — CID 67490104

IUPACN-[2-(dimethylamino)ethyl]-3-methylsulfanylbenzamide
SMILESCSc1cccc(C(=O)NCCN(C)C)c1
InChIInChI=1S/C12H18N2OS/c1-14(2)8-7-13-12(15)10-5-4-6-11(9-10)16-3/h4-6,9H,7-8H2,1-3H3,(H,13,15)
InChIKeySEWQRVDXUTUDQB-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.70
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-3-methylsulfanylbenzamide

N-[2-(dimethylamino)ethyl]-3-methylsulfanylbenzamide (PubChem CID 67490104) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-methylsulfanylbenzamide
PubChem CID67490104
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC NameN-[2-(dimethylamino)ethyl]-3-methylsulfanylbenzamide
SMILESCSc1cccc(C(=O)NCCN(C)C)c1
InChIInChI=1S/C12H18N2OS/c1-14(2)8-7-13-12(15)10-5-4-6-11(9-10)16-3/h4-6,9H,7-8H2,1-3H3,(H,13,15)
InChIKeySEWQRVDXUTUDQB-UHFFFAOYSA-N
XLogP1.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-[2-(dimethylamino)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide
CID 109053176
3-N-[2-(dimethylamino)ethyl]-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109053145
3-N-(3-acetylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide
CID 109053236
N-[2-(dimethylamino)ethyl]-3-(3-ethylphenyl)benzamide
CID 70827081
3-(diethylsulfamoyl)-N-[2-(dimethylamino)ethyl]benzamide
CID 2196169
N-[2-(dimethylamino)ethyl]-2,6-difluorobenzamide
CID 17249262
3-[benzyl(methyl)amino]-N-[2-(dimethylamino)ethyl]benzamide
CID 110355481
N-[2-(dimethylamino)ethyl]-2-fluoropyridine-4-carboxamide
CID 61294521
N-[2-(dimethylamino)ethyl]-3-prop-2-enoxybenzamide;hydrochloride
CID 2972123
methyl 3-[[3-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate
CID 109053241
N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-3-methylsulfanylbenzamide
CID 121022615
N-[2-(dimethylamino)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692285

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-methylsulfanylbenzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-methylsulfanylbenzamide (CID 67490104) is N-[2-(dimethylamino)ethyl]-3-methylsulfanylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-methylsulfanylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-methylsulfanylbenzamide is CSc1cccc(C(=O)NCCN(C)C)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-methylsulfanylbenzamide?
The InChIKey is SEWQRVDXUTUDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-14(2)8-7-13-12(15)10-5-4-6-11(9-10)16-3/h4-6,9H,7-8H2,1-3H3,(H,13,15).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-methylsulfanylbenzamide?
N-[2-(dimethylamino)ethyl]-3-methylsulfanylbenzamide has a molecular weight of 238.36 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-methylsulfanylbenzamide is sourced from PubChem (CID 67490104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).