N-[2-(ethylamino)-2-oxoethyl]-2-methyl-5-sulfanylbenzamide

C12H16N2O2S — CID 107023107

IUPACN-[2-(ethylamino)-2-oxoethyl]-2-methyl-5-sulfanylbenzamide
SMILESCCNC(=O)CNC(=O)c1cc(S)ccc1C
InChIInChI=1S/C12H16N2O2S/c1-3-13-11(15)7-14-12(16)10-6-9(17)5-4-8(10)2/h4-6,17H,3,7H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyOOPRLXLYDSEWGK-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.15
Rot. Bonds4

About N-[2-(ethylamino)-2-oxoethyl]-2-methyl-5-sulfanylbenzamide

N-[2-(ethylamino)-2-oxoethyl]-2-methyl-5-sulfanylbenzamide (PubChem CID 107023107) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is N-[2-(ethylamino)-2-oxoethyl]-2-methyl-5-sulfanylbenzamide.

Molecular Properties

Compound NameN-[2-(ethylamino)-2-oxoethyl]-2-methyl-5-sulfanylbenzamide
PubChem CID107023107
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC NameN-[2-(ethylamino)-2-oxoethyl]-2-methyl-5-sulfanylbenzamide
SMILESCCNC(=O)CNC(=O)c1cc(S)ccc1C
InChIInChI=1S/C12H16N2O2S/c1-3-13-11(15)7-14-12(16)10-6-9(17)5-4-8(10)2/h4-6,17H,3,7H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyOOPRLXLYDSEWGK-UHFFFAOYSA-N
XLogP1.15
TPSA58.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(ethylamino)propyl]-2-methyl-5-sulfanylbenzamide
CID 107023995
N-(2-methoxyethyl)-2-methyl-5-sulfanylbenzamide
CID 107019480
N-(2-ethoxyethyl)-2-methyl-5-sulfanylbenzamide
CID 107023284
N-[2-(ethylamino)-2-oxoethyl]-2,5-dimethylthiophene-3-carboxamide
CID 39969728
N-[3-(dimethylamino)propyl]-2-methyl-5-sulfanylbenzamide
CID 107021313
N-(5-hydroxypentyl)-2-methyl-5-sulfanylbenzamide
CID 107323824
N-(3-hydroxy-2,2-dimethylpropyl)-2-methyl-5-sulfanylbenzamide
CID 107033291
5-bromo-2-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 65306800
N-[2-(dimethylamino)-2-methylpropyl]-2-methyl-5-sulfanylbenzamide
CID 107026861
2-methyl-N-(2-methylsulfanylpropyl)-5-sulfanylbenzamide
CID 107035141
2-methyl-N-(3-pyrrolidin-1-ylpropyl)-5-sulfanylbenzamide
CID 107029176
2-fluoro-N-[2-(methylamino)-2-oxoethyl]-5-sulfanylbenzamide
CID 107022570

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-2-methyl-5-sulfanylbenzamide?
The IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-2-methyl-5-sulfanylbenzamide (CID 107023107) is N-[2-(ethylamino)-2-oxoethyl]-2-methyl-5-sulfanylbenzamide.
What is the SMILES notation for N-[2-(ethylamino)-2-oxoethyl]-2-methyl-5-sulfanylbenzamide?
The canonical SMILES for N-[2-(ethylamino)-2-oxoethyl]-2-methyl-5-sulfanylbenzamide is CCNC(=O)CNC(=O)c1cc(S)ccc1C.
What is the InChIKey of N-[2-(ethylamino)-2-oxoethyl]-2-methyl-5-sulfanylbenzamide?
The InChIKey is OOPRLXLYDSEWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-3-13-11(15)7-14-12(16)10-6-9(17)5-4-8(10)2/h4-6,17H,3,7H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of N-[2-(ethylamino)-2-oxoethyl]-2-methyl-5-sulfanylbenzamide?
N-[2-(ethylamino)-2-oxoethyl]-2-methyl-5-sulfanylbenzamide has a molecular weight of 252.34 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)-2-oxoethyl]-2-methyl-5-sulfanylbenzamide is sourced from PubChem (CID 107023107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).