N-methyl-N-[2-(methylamino)-2-oxoethyl]-3-sulfanylbenzamide

C11H14N2O2S — CID 107022686

IUPACN-methyl-N-[2-(methylamino)-2-oxoethyl]-3-sulfanylbenzamide
SMILESCNC(=O)CN(C)C(=O)c1cccc(S)c1
InChIInChI=1S/C11H14N2O2S/c1-12-10(14)7-13(2)11(15)8-4-3-5-9(16)6-8/h3-6,16H,7H2,1-2H3,(H,12,14)
InChIKeyLJILPPSDIVRHOD-UHFFFAOYSA-N
MW238.31 g/mol
LogP0.79
Rot. Bonds3

About N-methyl-N-[2-(methylamino)-2-oxoethyl]-3-sulfanylbenzamide

N-methyl-N-[2-(methylamino)-2-oxoethyl]-3-sulfanylbenzamide (PubChem CID 107022686) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is N-methyl-N-[2-(methylamino)-2-oxoethyl]-3-sulfanylbenzamide.

Molecular Properties

Compound NameN-methyl-N-[2-(methylamino)-2-oxoethyl]-3-sulfanylbenzamide
PubChem CID107022686
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC NameN-methyl-N-[2-(methylamino)-2-oxoethyl]-3-sulfanylbenzamide
SMILESCNC(=O)CN(C)C(=O)c1cccc(S)c1
InChIInChI=1S/C11H14N2O2S/c1-12-10(14)7-13(2)11(15)8-4-3-5-9(16)6-8/h3-6,16H,7H2,1-2H3,(H,12,14)
InChIKeyLJILPPSDIVRHOD-UHFFFAOYSA-N
XLogP0.79
TPSA49.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-prop-2-enyl-3-sulfanylbenzamide
CID 107033477
4-amino-N,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 43374613
N-(3-hydroxybutyl)-N-methyl-3-sulfanylbenzamide
CID 107035726
3-amino-4-(dimethylamino)-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 61093615
2,3-dihydroxy-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 114343941
N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-3-sulfanylbenzamide
CID 107032638
N,N-dimethyl-3-oxo-3-(3-sulfanylphenyl)propanamide
CID 91398568
N-(1-hydroxypropan-2-yl)-N-methyl-3-sulfanylbenzamide
CID 107034867
N-cyclopropyl-N-ethyl-3-sulfanylbenzamide
CID 107022345
N-methyl-N-(2-pyridin-2-ylethyl)-3-sulfanylbenzamide
CID 107021824
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-sulfanylbenzamide
CID 107029608
N-[(3-cyanophenyl)methyl]-N-methyl-3-sulfanylbenzamide
CID 107028981

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(methylamino)-2-oxoethyl]-3-sulfanylbenzamide?
The IUPAC name of N-methyl-N-[2-(methylamino)-2-oxoethyl]-3-sulfanylbenzamide (CID 107022686) is N-methyl-N-[2-(methylamino)-2-oxoethyl]-3-sulfanylbenzamide.
What is the SMILES notation for N-methyl-N-[2-(methylamino)-2-oxoethyl]-3-sulfanylbenzamide?
The canonical SMILES for N-methyl-N-[2-(methylamino)-2-oxoethyl]-3-sulfanylbenzamide is CNC(=O)CN(C)C(=O)c1cccc(S)c1.
What is the InChIKey of N-methyl-N-[2-(methylamino)-2-oxoethyl]-3-sulfanylbenzamide?
The InChIKey is LJILPPSDIVRHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-12-10(14)7-13(2)11(15)8-4-3-5-9(16)6-8/h3-6,16H,7H2,1-2H3,(H,12,14).
What are the key properties of N-methyl-N-[2-(methylamino)-2-oxoethyl]-3-sulfanylbenzamide?
N-methyl-N-[2-(methylamino)-2-oxoethyl]-3-sulfanylbenzamide has a molecular weight of 238.31 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(methylamino)-2-oxoethyl]-3-sulfanylbenzamide is sourced from PubChem (CID 107022686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).