2-[[2-(3-hydroxybutan-2-ylsulfanyl)acetyl]amino]benzamide

C13H18N2O3S — CID 107771195

IUPAC2-[[2-(3-hydroxybutan-2-ylsulfanyl)acetyl]amino]benzamide
SMILESCC(O)C(C)SCC(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C13H18N2O3S/c1-8(16)9(2)19-7-12(17)15-11-6-4-3-5-10(11)13(14)18/h3-6,8-9,16H,7H2,1-2H3,(H2,14,18)(H,15,17)
InChIKeyLESNQHBGBJOAAK-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.23
Rot. Bonds6

About 2-[[2-(3-hydroxybutan-2-ylsulfanyl)acetyl]amino]benzamide

2-[[2-(3-hydroxybutan-2-ylsulfanyl)acetyl]amino]benzamide (PubChem CID 107771195) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-[[2-(3-hydroxybutan-2-ylsulfanyl)acetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-(3-hydroxybutan-2-ylsulfanyl)acetyl]amino]benzamide
PubChem CID107771195
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Name2-[[2-(3-hydroxybutan-2-ylsulfanyl)acetyl]amino]benzamide
SMILESCC(O)C(C)SCC(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C13H18N2O3S/c1-8(16)9(2)19-7-12(17)15-11-6-4-3-5-10(11)13(14)18/h3-6,8-9,16H,7H2,1-2H3,(H2,14,18)(H,15,17)
InChIKeyLESNQHBGBJOAAK-UHFFFAOYSA-N
XLogP1.23
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanophenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
CID 113244452
2-[[2-[[4,5-di(propan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide
CID 17299287
2-(4-aminopentanoylamino)benzamide;hydrochloride
CID 120558709
2-[[2-(1-phenylethylsulfanyl)acetyl]amino]benzoic acid
CID 17341369
2-(2-bromopropanoylamino)benzamide
CID 14588064
2-(3-aminopropanoylamino)benzamide
CID 22692052
2-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]benzamide
CID 78814473
methyl 3-(2-carbamoylanilino)-3-oxopropanoate
CID 25049818
2-[[2-[(5-cyclopropyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 19727215
2-(1-aminopropan-2-ylsulfanyl)-N-(2-fluorophenyl)acetamide
CID 66242283
(2S)-2-[2-(2-carbamoylanilino)-2-oxoethoxy]propanoic acid
CID 104875798
2-(2-ethylbutanoylamino)benzamide
CID 1214109

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-hydroxybutan-2-ylsulfanyl)acetyl]amino]benzamide?
The IUPAC name of 2-[[2-(3-hydroxybutan-2-ylsulfanyl)acetyl]amino]benzamide (CID 107771195) is 2-[[2-(3-hydroxybutan-2-ylsulfanyl)acetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-(3-hydroxybutan-2-ylsulfanyl)acetyl]amino]benzamide?
The canonical SMILES for 2-[[2-(3-hydroxybutan-2-ylsulfanyl)acetyl]amino]benzamide is CC(O)C(C)SCC(=O)Nc1ccccc1C(N)=O.
What is the InChIKey of 2-[[2-(3-hydroxybutan-2-ylsulfanyl)acetyl]amino]benzamide?
The InChIKey is LESNQHBGBJOAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-8(16)9(2)19-7-12(17)15-11-6-4-3-5-10(11)13(14)18/h3-6,8-9,16H,7H2,1-2H3,(H2,14,18)(H,15,17).
What are the key properties of 2-[[2-(3-hydroxybutan-2-ylsulfanyl)acetyl]amino]benzamide?
2-[[2-(3-hydroxybutan-2-ylsulfanyl)acetyl]amino]benzamide has a molecular weight of 282.37 g/mol, XLogP of 1.23, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-hydroxybutan-2-ylsulfanyl)acetyl]amino]benzamide is sourced from PubChem (CID 107771195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).