N-[2-(diethylamino)-2-oxoethyl]-3-sulfanylbenzamide

C13H18N2O2S — CID 107034454

IUPACN-[2-(diethylamino)-2-oxoethyl]-3-sulfanylbenzamide
SMILESCCN(CC)C(=O)CNC(=O)c1cccc(S)c1
InChIInChI=1S/C13H18N2O2S/c1-3-15(4-2)12(16)9-14-13(17)10-6-5-7-11(18)8-10/h5-8,18H,3-4,9H2,1-2H3,(H,14,17)
InChIKeyUAAGFVALVGOYGL-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.57
Rot. Bonds5

About N-[2-(diethylamino)-2-oxoethyl]-3-sulfanylbenzamide

N-[2-(diethylamino)-2-oxoethyl]-3-sulfanylbenzamide (PubChem CID 107034454) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-oxoethyl]-3-sulfanylbenzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-oxoethyl]-3-sulfanylbenzamide
PubChem CID107034454
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-[2-(diethylamino)-2-oxoethyl]-3-sulfanylbenzamide
SMILESCCN(CC)C(=O)CNC(=O)c1cccc(S)c1
InChIInChI=1S/C13H18N2O2S/c1-3-15(4-2)12(16)9-14-13(17)10-6-5-7-11(18)8-10/h5-8,18H,3-4,9H2,1-2H3,(H,14,17)
InChIKeyUAAGFVALVGOYGL-UHFFFAOYSA-N
XLogP1.57
TPSA49.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.57
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-[2-(diethylamino)-2-oxoethyl]-3,4-diethoxybenzamide
CID 34837733
N-[2-(diethylamino)-2-oxoethyl]-3,5-dimethylbenzamide
CID 51161803
ethyl 2-[[2-[(3-chlorobenzoyl)amino]acetyl]-ethylamino]acetate
CID 78902099
N-decyl-3-sulfanylbenzamide
CID 107032454
3-bromo-N-[3-(diethylamino)-3-oxopropyl]benzamide
CID 47267566
3-bromo-N-[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]benzamide
CID 51193380
3-amino-N-[2-(diethylamino)-2-oxoethyl]-4-methoxybenzamide
CID 115597740
N-(2-methoxypropyl)-3-sulfanylbenzamide
CID 107036660
3-bromo-N-[2-(diethylamino)-2-oxoethyl]-5-methylbenzamide
CID 113460828
3-[(2-benzamidoacetyl)-ethylamino]-2-methylpropanoic acid
CID 62825581
N-[2-(N-ethylanilino)-2-oxoethyl]benzamide
CID 15890379
N-[3-(diethylamino)-3-oxopropyl]-4-sulfanylbenzamide
CID 107034718

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-oxoethyl]-3-sulfanylbenzamide?
The IUPAC name of N-[2-(diethylamino)-2-oxoethyl]-3-sulfanylbenzamide (CID 107034454) is N-[2-(diethylamino)-2-oxoethyl]-3-sulfanylbenzamide.
What is the SMILES notation for N-[2-(diethylamino)-2-oxoethyl]-3-sulfanylbenzamide?
The canonical SMILES for N-[2-(diethylamino)-2-oxoethyl]-3-sulfanylbenzamide is CCN(CC)C(=O)CNC(=O)c1cccc(S)c1.
What is the InChIKey of N-[2-(diethylamino)-2-oxoethyl]-3-sulfanylbenzamide?
The InChIKey is UAAGFVALVGOYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-3-15(4-2)12(16)9-14-13(17)10-6-5-7-11(18)8-10/h5-8,18H,3-4,9H2,1-2H3,(H,14,17).
What are the key properties of N-[2-(diethylamino)-2-oxoethyl]-3-sulfanylbenzamide?
N-[2-(diethylamino)-2-oxoethyl]-3-sulfanylbenzamide has a molecular weight of 266.37 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-oxoethyl]-3-sulfanylbenzamide is sourced from PubChem (CID 107034454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).