3-[(3-aminophenyl)sulfanylmethyl]benzamide

C14H14N2OS — CID 79133655

IUPAC3-[(3-aminophenyl)sulfanylmethyl]benzamide
SMILESNC(=O)c1cccc(CSc2cccc(N)c2)c1
InChIInChI=1S/C14H14N2OS/c15-12-5-2-6-13(8-12)18-9-10-3-1-4-11(7-10)14(16)17/h1-8H,9,15H2,(H2,16,17)
InChIKeyWNLYIVAUWVGEMH-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.66
Rot. Bonds4

About 3-[(3-aminophenyl)sulfanylmethyl]benzamide

3-[(3-aminophenyl)sulfanylmethyl]benzamide (PubChem CID 79133655) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 3-[(3-aminophenyl)sulfanylmethyl]benzamide.

Molecular Properties

Compound Name3-[(3-aminophenyl)sulfanylmethyl]benzamide
PubChem CID79133655
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name3-[(3-aminophenyl)sulfanylmethyl]benzamide
SMILESNC(=O)c1cccc(CSc2cccc(N)c2)c1
InChIInChI=1S/C14H14N2OS/c15-12-5-2-6-13(8-12)18-9-10-3-1-4-11(7-10)14(16)17/h1-8H,9,15H2,(H2,16,17)
InChIKeyWNLYIVAUWVGEMH-UHFFFAOYSA-N
XLogP2.66
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-methoxyphenyl)sulfanylmethyl]benzamide
CID 47172855
3-[(2-amino-6-chlorophenyl)sulfanylmethyl]benzamide
CID 43304597
methyl 4-[(3-aminophenyl)sulfanylmethyl]benzoate
CID 69486449
2-(3-aminophenyl)sulfanylacetamide
CID 19300065
3-[[(3-aminophenyl)methyl-methylamino]methyl]benzamide
CID 43457958
3-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]benzamide
CID 24692167
3-[(3-methylphenyl)sulfanylmethyl]benzohydrazide
CID 63581632
[4-[(3-aminophenyl)methylsulfanyl]phenyl]methanol
CID 113374088
3-(2-amino-2-oxoethyl)sulfanylbenzamide;ethane
CID 142545208
3-[(4-amino-3-methylphenyl)sulfanylmethyl]benzohydrazide
CID 79148671
3-[(3-hydroperoxyphenyl)methylsulfanyl]benzoic acid
CID 142913600
3-(sulfanylmethyl)benzamide
CID 118350806

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminophenyl)sulfanylmethyl]benzamide?
The IUPAC name of 3-[(3-aminophenyl)sulfanylmethyl]benzamide (CID 79133655) is 3-[(3-aminophenyl)sulfanylmethyl]benzamide.
What is the SMILES notation for 3-[(3-aminophenyl)sulfanylmethyl]benzamide?
The canonical SMILES for 3-[(3-aminophenyl)sulfanylmethyl]benzamide is NC(=O)c1cccc(CSc2cccc(N)c2)c1.
What is the InChIKey of 3-[(3-aminophenyl)sulfanylmethyl]benzamide?
The InChIKey is WNLYIVAUWVGEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c15-12-5-2-6-13(8-12)18-9-10-3-1-4-11(7-10)14(16)17/h1-8H,9,15H2,(H2,16,17).
What are the key properties of 3-[(3-aminophenyl)sulfanylmethyl]benzamide?
3-[(3-aminophenyl)sulfanylmethyl]benzamide has a molecular weight of 258.35 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminophenyl)sulfanylmethyl]benzamide is sourced from PubChem (CID 79133655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).