2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-propan-2-ylbenzamide

C14H20N2O2S — CID 27648205

IUPAC2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1SCC(=O)N(C)C
InChIInChI=1S/C14H20N2O2S/c1-10(2)15-14(18)11-7-5-6-8-12(11)19-9-13(17)16(3)4/h5-8,10H,9H2,1-4H3,(H,15,18)
InChIKeyUFOVSQUSVUJZQQ-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.01
Rot. Bonds5

About 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-propan-2-ylbenzamide

2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-propan-2-ylbenzamide (PubChem CID 27648205) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-propan-2-ylbenzamide
PubChem CID27648205
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1SCC(=O)N(C)C
InChIInChI=1S/C14H20N2O2S/c1-10(2)15-14(18)11-7-5-6-8-12(11)19-9-13(17)16(3)4/h5-8,10H,9H2,1-4H3,(H,15,18)
InChIKeyUFOVSQUSVUJZQQ-UHFFFAOYSA-N
XLogP2.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-propan-2-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate
CID 9066841
N-cyclohexyl-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide
CID 46449832
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(2-phenylethyl)benzamide
CID 51200205
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate
CID 9066741
2-[2-[(N-benzylanilino)carbamoyl]phenyl]sulfanyl-N,N-dimethylacetamide
CID 9206617
N-butan-2-yl-2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylbenzamide
CID 55334635
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(4-phenylmethoxyphenyl)benzamide
CID 9034683
[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate
CID 9062257
2-[2-[[[2-(4-ethylphenoxy)acetyl]amino]carbamoyl]phenyl]sulfanyl-N,N-dimethylacetamide
CID 9324278
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide
CID 9069102
[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate
CID 9066757
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 17469397

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-propan-2-ylbenzamide?
The IUPAC name of 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-propan-2-ylbenzamide (CID 27648205) is 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-propan-2-ylbenzamide?
The canonical SMILES for 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccccc1SCC(=O)N(C)C.
What is the InChIKey of 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-propan-2-ylbenzamide?
The InChIKey is UFOVSQUSVUJZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-10(2)15-14(18)11-7-5-6-8-12(11)19-9-13(17)16(3)4/h5-8,10H,9H2,1-4H3,(H,15,18).
What are the key properties of 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-propan-2-ylbenzamide?
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-propan-2-ylbenzamide has a molecular weight of 280.39 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 27648205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).