N-(4-amino-4-sulfanylidenebutyl)benzamide

C11H14N2OS — CID 62666024

IUPACN-(4-amino-4-sulfanylidenebutyl)benzamide
SMILESNC(=S)CCCNC(=O)c1ccccc1
InChIInChI=1S/C11H14N2OS/c12-10(15)7-4-8-13-11(14)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,12,15)(H,13,14)
InChIKeyGDOVDMXZCFLFGV-UHFFFAOYSA-N
MW222.31 g/mol
LogP1.48
Rot. Bonds5

About N-(4-amino-4-sulfanylidenebutyl)benzamide

N-(4-amino-4-sulfanylidenebutyl)benzamide (PubChem CID 62666024) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is N-(4-amino-4-sulfanylidenebutyl)benzamide.

Molecular Properties

Compound NameN-(4-amino-4-sulfanylidenebutyl)benzamide
PubChem CID62666024
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC NameN-(4-amino-4-sulfanylidenebutyl)benzamide
SMILESNC(=S)CCCNC(=O)c1ccccc1
InChIInChI=1S/C11H14N2OS/c12-10(15)7-4-8-13-11(14)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,12,15)(H,13,14)
InChIKeyGDOVDMXZCFLFGV-UHFFFAOYSA-N
XLogP1.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N-(4-amino-4-sulfanylidenebutyl)-4-methylbenzamide
CID 62666220
N-(4-hydrazinyl-4-oxobutyl)benzamide
CID 4736868
N-(4-amino-4-sulfanylidenebutyl)-2-fluorobenzamide
CID 62666034
N-(4-oxopentyl)benzamide
CID 10798281
N-(4-amino-4-oxobutyl)-4-carbamothioylbenzamide
CID 60863237
N-(5-amino-5-sulfanylidenepentyl)-3,4-dihydroxybenzamide
CID 107728397
methyl 4-benzamidobutanoate
CID 13197711
N-(4-amino-4-sulfanylidenebutyl)-2,6-dichlorobenzamide
CID 62666216
4-(4-benzamidobutanoylamino)benzamide
CID 29374160
N-(4-amino-4-sulfanylidenebutyl)-4-fluoro-3-methylbenzamide
CID 63210296
N-[4-(butylamino)-4-oxobutyl]benzamide
CID 78795173
N-(6-hydrazinyl-6-oxohexyl)benzamide
CID 5226635

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-sulfanylidenebutyl)benzamide?
The IUPAC name of N-(4-amino-4-sulfanylidenebutyl)benzamide (CID 62666024) is N-(4-amino-4-sulfanylidenebutyl)benzamide.
What is the SMILES notation for N-(4-amino-4-sulfanylidenebutyl)benzamide?
The canonical SMILES for N-(4-amino-4-sulfanylidenebutyl)benzamide is NC(=S)CCCNC(=O)c1ccccc1.
What is the InChIKey of N-(4-amino-4-sulfanylidenebutyl)benzamide?
The InChIKey is GDOVDMXZCFLFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c12-10(15)7-4-8-13-11(14)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,12,15)(H,13,14).
What are the key properties of N-(4-amino-4-sulfanylidenebutyl)benzamide?
N-(4-amino-4-sulfanylidenebutyl)benzamide has a molecular weight of 222.31 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-sulfanylidenebutyl)benzamide is sourced from PubChem (CID 62666024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).