N-(2-amino-5-thiophen-2-ylphenyl)-4-methylsulfanylbenzamide

C18H16N2OS2 — CID 168913825

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1
InChIInChI=1S/C18H16N2OS2/c1-22-14-7-4-12(5-8-14)18(21)20-16-11-13(6-9-15(16)19)17-3-2-10-23-17/h2-11H,19H2,1H3,(H,20,21)
InChIKeyLIASAHACDVFKTP-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.97
Rot. Bonds4

About N-(2-amino-5-thiophen-2-ylphenyl)-4-methylsulfanylbenzamide

N-(2-amino-5-thiophen-2-ylphenyl)-4-methylsulfanylbenzamide (PubChem CID 168913825) has the molecular formula C18H16N2OS2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-4-methylsulfanylbenzamide
PubChem CID168913825
Molecular FormulaC18H16N2OS2
Molecular Weight340.47 g/mol
Exact Mass340.07
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1
InChIInChI=1S/C18H16N2OS2/c1-22-14-7-4-12(5-8-14)18(21)20-16-11-13(6-9-15(16)19)17-3-2-10-23-17/h2-11H,19H2,1H3,(H,20,21)
InChIKeyLIASAHACDVFKTP-UHFFFAOYSA-N
XLogP4.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-5-thiophen-2-ylphenyl)-4-methylsulfanylbenzamide
CID 168913883
[3-[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]-2,4-dimethylpentan-3-yl]-oxophosphanium
CID 154074694
3-amino-N-(2-amino-5-thiophen-2-ylphenyl)-4-hydrazinylbenzamide
CID 143026776
N-(2-amino-5-pyridin-4-ylphenyl)-4-methylsulfanylbenzamide
CID 168913976
N-(2-amino-5-thiophen-2-ylphenyl)-3,4-dimethoxybenzamide
CID 59736817
N-(2-amino-5-thiophen-2-ylphenyl)-4-[(methylsulfonimidoyl)methyl]benzamide
CID 168792590
CID 88928326
CID 88928326
N-(2-amino-5-thiophen-2-ylphenyl)-4-(phenylsulfonimidoyl)benzamide
CID 168792402
N-(2-amino-5-thiophen-2-ylphenyl)-4-(benzamidomethyl)benzamide
CID 25157373
N-(2-amino-5-thiophen-2-ylphenyl)-4-[bis[2-(methylamino)-2-oxoethyl]amino]benzamide
CID 24947291
N-(2-amino-5-thiophen-2-ylphenyl)-4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]benzamide
CID 24947475
N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-trimethylsilylpropyl)benzamide
CID 58283961

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-4-methylsulfanylbenzamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-4-methylsulfanylbenzamide (CID 168913825) is N-(2-amino-5-thiophen-2-ylphenyl)-4-methylsulfanylbenzamide.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-4-methylsulfanylbenzamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-4-methylsulfanylbenzamide is CSc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-4-methylsulfanylbenzamide?
The InChIKey is LIASAHACDVFKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS2/c1-22-14-7-4-12(5-8-14)18(21)20-16-11-13(6-9-15(16)19)17-3-2-10-23-17/h2-11H,19H2,1H3,(H,20,21).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-4-methylsulfanylbenzamide?
N-(2-amino-5-thiophen-2-ylphenyl)-4-methylsulfanylbenzamide has a molecular weight of 340.47 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-thiophen-2-ylphenyl)-4-methylsulfanylbenzamide is sourced from PubChem (CID 168913825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).