4-[(3-amino-3-sulfanylidenepropanoyl)amino]benzamide

C10H11N3O2S — CID 28942422

IUPAC4-[(3-amino-3-sulfanylidenepropanoyl)amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CC(N)=S)cc1
InChIInChI=1S/C10H11N3O2S/c11-8(16)5-9(14)13-7-3-1-6(2-4-7)10(12)15/h1-4H,5H2,(H2,11,16)(H2,12,15)(H,13,14)
InChIKeyLLIMRSSCIBGYKX-UHFFFAOYSA-N
MW237.28 g/mol
LogP0.40
Rot. Bonds4

About 4-[(3-amino-3-sulfanylidenepropanoyl)amino]benzamide

4-[(3-amino-3-sulfanylidenepropanoyl)amino]benzamide (PubChem CID 28942422) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 4-[(3-amino-3-sulfanylidenepropanoyl)amino]benzamide.

Molecular Properties

Compound Name4-[(3-amino-3-sulfanylidenepropanoyl)amino]benzamide
PubChem CID28942422
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name4-[(3-amino-3-sulfanylidenepropanoyl)amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CC(N)=S)cc1
InChIInChI=1S/C10H11N3O2S/c11-8(16)5-9(14)13-7-3-1-6(2-4-7)10(12)15/h1-4H,5H2,(H2,11,16)(H2,12,15)(H,13,14)
InChIKeyLLIMRSSCIBGYKX-UHFFFAOYSA-N
XLogP0.40
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 43316270
4-(4-hydroxybutanoylamino)benzamide
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3-amino-N-[4-(2-hydroxyethyl)phenyl]-3-sulfanylidenepropanamide
CID 61236630
1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 1272826
4-[[2-[4-(aminomethyl)phenyl]acetyl]amino]benzamide
CID 63589054
[2-(4-carbamoylanilino)-2-oxoethyl] (E)-pent-2-enoate
CID 8673185
4-(6-aminohexanoylamino)benzamide
CID 24702559
methyl 4-(4-carbamoylanilino)-4-oxobutanoate
CID 721935
4-[(2-phenylacetyl)carbamothioylamino]benzamide
CID 916512
4-(3-phenylpropanoylamino)benzamide
CID 675903
4-[(4-oxo-4-phenylbutanoyl)amino]benzamide
CID 9441934
4-[[2-(4-chloroanilino)acetyl]amino]benzamide
CID 37474850

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-3-sulfanylidenepropanoyl)amino]benzamide?
The IUPAC name of 4-[(3-amino-3-sulfanylidenepropanoyl)amino]benzamide (CID 28942422) is 4-[(3-amino-3-sulfanylidenepropanoyl)amino]benzamide.
What is the SMILES notation for 4-[(3-amino-3-sulfanylidenepropanoyl)amino]benzamide?
The canonical SMILES for 4-[(3-amino-3-sulfanylidenepropanoyl)amino]benzamide is NC(=O)c1ccc(NC(=O)CC(N)=S)cc1.
What is the InChIKey of 4-[(3-amino-3-sulfanylidenepropanoyl)amino]benzamide?
The InChIKey is LLIMRSSCIBGYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c11-8(16)5-9(14)13-7-3-1-6(2-4-7)10(12)15/h1-4H,5H2,(H2,11,16)(H2,12,15)(H,13,14).
What are the key properties of 4-[(3-amino-3-sulfanylidenepropanoyl)amino]benzamide?
4-[(3-amino-3-sulfanylidenepropanoyl)amino]benzamide has a molecular weight of 237.28 g/mol, XLogP of 0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-3-sulfanylidenepropanoyl)amino]benzamide is sourced from PubChem (CID 28942422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).