N-[[2-(methylamino)-2-oxoethyl]sulfanylmethyl]benzamide

C11H14N2O2S — CID 59710611

IUPACN-[[2-(methylamino)-2-oxoethyl]sulfanylmethyl]benzamide
SMILESCNC(=O)CSCNC(=O)c1ccccc1
InChIInChI=1S/C11H14N2O2S/c1-12-10(14)7-16-8-13-11(15)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,14)(H,13,15)
InChIKeyAPIAGNWJLDWMPE-UHFFFAOYSA-N
MW238.31 g/mol
LogP0.85
Rot. Bonds5

About N-[[2-(methylamino)-2-oxoethyl]sulfanylmethyl]benzamide

N-[[2-(methylamino)-2-oxoethyl]sulfanylmethyl]benzamide (PubChem CID 59710611) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is N-[[2-(methylamino)-2-oxoethyl]sulfanylmethyl]benzamide.

Molecular Properties

Compound NameN-[[2-(methylamino)-2-oxoethyl]sulfanylmethyl]benzamide
PubChem CID59710611
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC NameN-[[2-(methylamino)-2-oxoethyl]sulfanylmethyl]benzamide
SMILESCNC(=O)CSCNC(=O)c1ccccc1
InChIInChI=1S/C11H14N2O2S/c1-12-10(14)7-16-8-13-11(15)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,14)(H,13,15)
InChIKeyAPIAGNWJLDWMPE-UHFFFAOYSA-N
XLogP0.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(benzamidomethylsulfanyl)ethanimidate;ethane
CID 91570359
N-methylbenzamide
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N-[2-(methylcarbamoylamino)ethyl]benzamide
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N-ethylbenzamide
CID 160772566
N-ethylbenzamide;hydrochloride
CID 57444995
propan-2-yl 4-(benzamidomethylsulfanyl)butanoate
CID 174352991
lithium;hydride;N-methylbenzamide
CID 173287348
N-methylbenzamide;molecular hydrogen
CID 142972595
N-[2-(methylamino)propyl]-2-phenacylsulfanylacetamide
CID 120832661
4-[[2-(methylamino)-2-oxoethyl]carbamoyl]benzoic acid
CID 43414345
N-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide
CID 741406
CID 66812751
CID 66812751

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methylamino)-2-oxoethyl]sulfanylmethyl]benzamide?
The IUPAC name of N-[[2-(methylamino)-2-oxoethyl]sulfanylmethyl]benzamide (CID 59710611) is N-[[2-(methylamino)-2-oxoethyl]sulfanylmethyl]benzamide.
What is the SMILES notation for N-[[2-(methylamino)-2-oxoethyl]sulfanylmethyl]benzamide?
The canonical SMILES for N-[[2-(methylamino)-2-oxoethyl]sulfanylmethyl]benzamide is CNC(=O)CSCNC(=O)c1ccccc1.
What is the InChIKey of N-[[2-(methylamino)-2-oxoethyl]sulfanylmethyl]benzamide?
The InChIKey is APIAGNWJLDWMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-12-10(14)7-16-8-13-11(15)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,14)(H,13,15).
What are the key properties of N-[[2-(methylamino)-2-oxoethyl]sulfanylmethyl]benzamide?
N-[[2-(methylamino)-2-oxoethyl]sulfanylmethyl]benzamide has a molecular weight of 238.31 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methylamino)-2-oxoethyl]sulfanylmethyl]benzamide is sourced from PubChem (CID 59710611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).