4-[[2-(4-aminobutan-2-ylsulfanyl)acetyl]amino]benzamide

C13H19N3O2S — CID 66228849

IUPAC4-[[2-(4-aminobutan-2-ylsulfanyl)acetyl]amino]benzamide
SMILESCC(CCN)SCC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C13H19N3O2S/c1-9(6-7-14)19-8-12(17)16-11-4-2-10(3-5-11)13(15)18/h2-5,9H,6-8,14H2,1H3,(H2,15,18)(H,16,17)
InChIKeyIRGSFDJCMTYXKB-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.19
Rot. Bonds7

About 4-[[2-(4-aminobutan-2-ylsulfanyl)acetyl]amino]benzamide

4-[[2-(4-aminobutan-2-ylsulfanyl)acetyl]amino]benzamide (PubChem CID 66228849) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 4-[[2-(4-aminobutan-2-ylsulfanyl)acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-(4-aminobutan-2-ylsulfanyl)acetyl]amino]benzamide
PubChem CID66228849
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name4-[[2-(4-aminobutan-2-ylsulfanyl)acetyl]amino]benzamide
SMILESCC(CCN)SCC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C13H19N3O2S/c1-9(6-7-14)19-8-12(17)16-11-4-2-10(3-5-11)13(15)18/h2-5,9H,6-8,14H2,1H3,(H2,15,18)(H,16,17)
InChIKeyIRGSFDJCMTYXKB-UHFFFAOYSA-N
XLogP1.19
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-aminobutan-2-ylsulfanyl)-N-(4-ethylphenyl)acetamide
CID 66229760
2-(4-aminobutan-2-ylsulfanyl)-N-(4-propylphenyl)acetamide
CID 66230503
4-[[2-[(1S)-1-phenylethyl]sulfanylacetyl]amino]benzamide
CID 7509866
N-[4-(2-aminoacetyl)phenyl]-2-propan-2-ylsulfanylacetamide
CID 170860689
2-(1-aminopropan-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide
CID 66216878
2-(4-aminobutan-2-ylsulfanyl)-N-(2,4-difluorophenyl)acetamide
CID 66231150
2-[[2-(4-carbamoylanilino)-2-oxoethyl]amino]propanoic acid
CID 43467013
2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 47102669
4-(6-aminohexanoylamino)benzamide
CID 24702559
4-[(3-amino-3-sulfanylidenepropanoyl)amino]benzamide
CID 28942422
S-[2-(4-carbamoylanilino)-2-oxoethyl] benzenecarbothioate
CID 2371904
N-[4-(cyanomethyl)phenyl]-2-(4-hydroxybutan-2-ylsulfanyl)acetamide
CID 65417940

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-aminobutan-2-ylsulfanyl)acetyl]amino]benzamide?
The IUPAC name of 4-[[2-(4-aminobutan-2-ylsulfanyl)acetyl]amino]benzamide (CID 66228849) is 4-[[2-(4-aminobutan-2-ylsulfanyl)acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-(4-aminobutan-2-ylsulfanyl)acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-(4-aminobutan-2-ylsulfanyl)acetyl]amino]benzamide is CC(CCN)SCC(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[2-(4-aminobutan-2-ylsulfanyl)acetyl]amino]benzamide?
The InChIKey is IRGSFDJCMTYXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-9(6-7-14)19-8-12(17)16-11-4-2-10(3-5-11)13(15)18/h2-5,9H,6-8,14H2,1H3,(H2,15,18)(H,16,17).
What are the key properties of 4-[[2-(4-aminobutan-2-ylsulfanyl)acetyl]amino]benzamide?
4-[[2-(4-aminobutan-2-ylsulfanyl)acetyl]amino]benzamide has a molecular weight of 281.38 g/mol, XLogP of 1.19, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-aminobutan-2-ylsulfanyl)acetyl]amino]benzamide is sourced from PubChem (CID 66228849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).