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

C19H17N3OS — CID 168913976

IUPACN-(2-amino-5-pyridin-4-ylphenyl)-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)Nc2cc(-c3ccncc3)ccc2N)cc1
InChIInChI=1S/C19H17N3OS/c1-24-16-5-2-14(3-6-16)19(23)22-18-12-15(4-7-17(18)20)13-8-10-21-11-9-13/h2-12H,20H2,1H3,(H,22,23)
InChIKeyQFJKDYNVMNUWSS-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.30
Rot. Bonds4

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

N-(2-amino-5-pyridin-4-ylphenyl)-4-methylsulfanylbenzamide (PubChem CID 168913976) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is N-(2-amino-5-pyridin-4-ylphenyl)-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(2-amino-5-pyridin-4-ylphenyl)-4-methylsulfanylbenzamide
PubChem CID168913976
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC NameN-(2-amino-5-pyridin-4-ylphenyl)-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)Nc2cc(-c3ccncc3)ccc2N)cc1
InChIInChI=1S/C19H17N3OS/c1-24-16-5-2-14(3-6-16)19(23)22-18-12-15(4-7-17(18)20)13-8-10-21-11-9-13/h2-12H,20H2,1H3,(H,22,23)
InChIKeyQFJKDYNVMNUWSS-UHFFFAOYSA-N
XLogP4.30
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.30
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-amino-5-thiophen-2-ylphenyl)-4-methylsulfanylbenzamide
CID 168913825
N-(2-amino-5-methylphenyl)-4-methylsulfanylbenzamide
CID 112557228
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-ethylsulfanylbenzamide
CID 168913873
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(5-prop-1-en-2-yl-3-pyridinyl)sulfanyl]benzamide
CID 168913889
N-[5-(4-fluorophenyl)-2-hydroxyphenyl]-4-methylsulfanylbenzamide
CID 168913853
N-[2-methyl-4-[3-methyl-4-[(4-methylsulfanylbenzoyl)amino]phenyl]phenyl]-4-methylsulfanylbenzamide
CID 43980967
N-[2-amino-5-(4-fluorophenyl)phenyl]-6-methylsulfanylpyridine-3-carboxamide
CID 168913880
[4-[4-amino-3-[(4-propylbenzoyl)amino]phenyl]phenyl] thiohypoiodite
CID 126723287
4-methylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 22581409
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[[5-(2-methoxyethoxymethyl)-3-pyridinyl]sulfanyl]benzamide
CID 168913828
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(4-oxo-1H-pyridin-3-yl)sulfanyl]benzamide
CID 168913846
N-[2-amino-5-(4-hydroxyphenyl)phenyl]-4-methoxybenzamide
CID 59736664

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-pyridin-4-ylphenyl)-4-methylsulfanylbenzamide?
The IUPAC name of N-(2-amino-5-pyridin-4-ylphenyl)-4-methylsulfanylbenzamide (CID 168913976) is N-(2-amino-5-pyridin-4-ylphenyl)-4-methylsulfanylbenzamide.
What is the SMILES notation for N-(2-amino-5-pyridin-4-ylphenyl)-4-methylsulfanylbenzamide?
The canonical SMILES for N-(2-amino-5-pyridin-4-ylphenyl)-4-methylsulfanylbenzamide is CSc1ccc(C(=O)Nc2cc(-c3ccncc3)ccc2N)cc1.
What is the InChIKey of N-(2-amino-5-pyridin-4-ylphenyl)-4-methylsulfanylbenzamide?
The InChIKey is QFJKDYNVMNUWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS/c1-24-16-5-2-14(3-6-16)19(23)22-18-12-15(4-7-17(18)20)13-8-10-21-11-9-13/h2-12H,20H2,1H3,(H,22,23).
What are the key properties of N-(2-amino-5-pyridin-4-ylphenyl)-4-methylsulfanylbenzamide?
N-(2-amino-5-pyridin-4-ylphenyl)-4-methylsulfanylbenzamide has a molecular weight of 335.43 g/mol, XLogP of 4.30, 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-pyridin-4-ylphenyl)-4-methylsulfanylbenzamide is sourced from PubChem (CID 168913976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).