2-(4-amino-4-sulfanylidenebutoxy)benzamide

C11H14N2O2S — CID 24698755

IUPAC2-(4-amino-4-sulfanylidenebutoxy)benzamide
SMILESNC(=O)c1ccccc1OCCCC(N)=S
InChIInChI=1S/C11H14N2O2S/c12-10(16)6-3-7-15-9-5-2-1-4-8(9)11(13)14/h1-2,4-5H,3,6-7H2,(H2,12,16)(H2,13,14)
InChIKeyUJQYAAUKABIVAA-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.23
Rot. Bonds6

About 2-(4-amino-4-sulfanylidenebutoxy)benzamide

2-(4-amino-4-sulfanylidenebutoxy)benzamide (PubChem CID 24698755) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-(4-amino-4-sulfanylidenebutoxy)benzamide.

Molecular Properties

Compound Name2-(4-amino-4-sulfanylidenebutoxy)benzamide
PubChem CID24698755
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name2-(4-amino-4-sulfanylidenebutoxy)benzamide
SMILESNC(=O)c1ccccc1OCCCC(N)=S
InChIInChI=1S/C11H14N2O2S/c12-10(16)6-3-7-15-9-5-2-1-4-8(9)11(13)14/h1-2,4-5H,3,6-7H2,(H2,12,16)(H2,13,14)
InChIKeyUJQYAAUKABIVAA-UHFFFAOYSA-N
XLogP1.23
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-amino-3-oxopropoxy)benzamide
CID 60713061
2-(4-methoxybutoxy)benzamide;dihydrochloride
CID 140972471
4-(2-fluorophenoxy)butanethioamide
CID 24711611
methyl 4-(2-carbamothioylphenoxy)butanoate
CID 43378023
2-(3-azidopropoxy)benzamide
CID 61396560
2-[3-(tert-butylamino)propoxy]benzamide
CID 103074303
2-(fluoromethoxy)benzamide;hydrochloride
CID 141068067
2-(2,2,2-trifluoroethoxy)benzamide;hydrochloride
CID 160645363
2-[3-(3-aminophenoxy)propoxy]benzamide
CID 43174426
2-(3-carboxypropoxy)benzoic acid
CID 14661645
2-(2-oxoethoxy)benzamide
CID 21273663
2-(3-oxo-3-piperazin-1-ylpropoxy)benzamide
CID 62543936

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-4-sulfanylidenebutoxy)benzamide?
The IUPAC name of 2-(4-amino-4-sulfanylidenebutoxy)benzamide (CID 24698755) is 2-(4-amino-4-sulfanylidenebutoxy)benzamide.
What is the SMILES notation for 2-(4-amino-4-sulfanylidenebutoxy)benzamide?
The canonical SMILES for 2-(4-amino-4-sulfanylidenebutoxy)benzamide is NC(=O)c1ccccc1OCCCC(N)=S.
What is the InChIKey of 2-(4-amino-4-sulfanylidenebutoxy)benzamide?
The InChIKey is UJQYAAUKABIVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c12-10(16)6-3-7-15-9-5-2-1-4-8(9)11(13)14/h1-2,4-5H,3,6-7H2,(H2,12,16)(H2,13,14).
What are the key properties of 2-(4-amino-4-sulfanylidenebutoxy)benzamide?
2-(4-amino-4-sulfanylidenebutoxy)benzamide has a molecular weight of 238.31 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-4-sulfanylidenebutoxy)benzamide is sourced from PubChem (CID 24698755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).