2-(2-amino-2-sulfanylideneethyl)-N-(pyridin-4-ylmethyl)benzamide

C15H15N3OS — CID 82179158

IUPAC2-(2-amino-2-sulfanylideneethyl)-N-(pyridin-4-ylmethyl)benzamide
SMILESNC(=S)Cc1ccccc1C(=O)NCc1ccncc1
InChIInChI=1S/C15H15N3OS/c16-14(20)9-12-3-1-2-4-13(12)15(19)18-10-11-5-7-17-8-6-11/h1-8H,9-10H2,(H2,16,20)(H,18,19)
InChIKeyXFGLAJZYZRWBAH-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.84
Rot. Bonds5

About 2-(2-amino-2-sulfanylideneethyl)-N-(pyridin-4-ylmethyl)benzamide

2-(2-amino-2-sulfanylideneethyl)-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 82179158) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-(2-amino-2-sulfanylideneethyl)-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2-(2-amino-2-sulfanylideneethyl)-N-(pyridin-4-ylmethyl)benzamide
PubChem CID82179158
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name2-(2-amino-2-sulfanylideneethyl)-N-(pyridin-4-ylmethyl)benzamide
SMILESNC(=S)Cc1ccccc1C(=O)NCc1ccncc1
InChIInChI=1S/C15H15N3OS/c16-14(20)9-12-3-1-2-4-13(12)15(19)18-10-11-5-7-17-8-6-11/h1-8H,9-10H2,(H2,16,20)(H,18,19)
InChIKeyXFGLAJZYZRWBAH-UHFFFAOYSA-N
XLogP1.84
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-2-sulfanylideneethyl)-N-benzylbenzamide
CID 82179146
2-anilino-N-(pyridin-4-ylmethyl)benzamide
CID 17396496
2-chloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 4165114
2-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)benzamide
CID 63107619
2-benzylselanyl-N-(pyridin-4-ylmethyl)benzamide
CID 19898974
N-benzyl-2-(pyridin-4-ylamino)benzamide
CID 24821329
ethane;pyridin-4-ylmethylurea
CID 144877282
N-[2-(aminomethyl)phenyl]-2-(pyridin-4-ylmethylamino)benzamide
CID 174430362
2-(dimethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 110299234
2,6-dihydroxy-N-(pyridin-4-ylmethyl)benzamide
CID 113254463
N-benzylpyridine-4-carboxamide;hydrochloride
CID 110755427
N-(pyridin-4-ylmethyl)-[1,4]benzodioxino[3,2-b]quinoxaline-4-carboxamide
CID 11837321

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-sulfanylideneethyl)-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 2-(2-amino-2-sulfanylideneethyl)-N-(pyridin-4-ylmethyl)benzamide (CID 82179158) is 2-(2-amino-2-sulfanylideneethyl)-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 2-(2-amino-2-sulfanylideneethyl)-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 2-(2-amino-2-sulfanylideneethyl)-N-(pyridin-4-ylmethyl)benzamide is NC(=S)Cc1ccccc1C(=O)NCc1ccncc1.
What is the InChIKey of 2-(2-amino-2-sulfanylideneethyl)-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is XFGLAJZYZRWBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c16-14(20)9-12-3-1-2-4-13(12)15(19)18-10-11-5-7-17-8-6-11/h1-8H,9-10H2,(H2,16,20)(H,18,19).
What are the key properties of 2-(2-amino-2-sulfanylideneethyl)-N-(pyridin-4-ylmethyl)benzamide?
2-(2-amino-2-sulfanylideneethyl)-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 285.37 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-sulfanylideneethyl)-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 82179158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).