2-amino-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]benzamide

C19H22N2O2S — CID 119945597

IUPAC2-amino-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]benzamide
SMILESNc1ccccc1C(=O)Nc1cccc(CSC2CCOCC2)c1
InChIInChI=1S/C19H22N2O2S/c20-18-7-2-1-6-17(18)19(22)21-15-5-3-4-14(12-15)13-24-16-8-10-23-11-9-16/h1-7,12,16H,8-11,13,20H2,(H,21,22)
InChIKeyRWXFDTBRGIUZAZ-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.93
Rot. Bonds5

About 2-amino-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]benzamide

2-amino-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]benzamide (PubChem CID 119945597) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 2-amino-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]benzamide
PubChem CID119945597
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name2-amino-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]benzamide
SMILESNc1ccccc1C(=O)Nc1cccc(CSC2CCOCC2)c1
InChIInChI=1S/C19H22N2O2S/c20-18-7-2-1-6-17(18)19(22)21-15-5-3-4-14(12-15)13-24-16-8-10-23-11-9-16/h1-7,12,16H,8-11,13,20H2,(H,21,22)
InChIKeyRWXFDTBRGIUZAZ-UHFFFAOYSA-N
XLogP3.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.93
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-[3-(oxan-4-ylsulfanylmethyl)phenyl]furan-3-carboxamide
CID 71875712
N-[3-(oxan-4-ylsulfanylmethyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 86961679
4-chloro-2-methoxy-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]benzamide
CID 86961557
N-[3-(oxan-4-ylsulfanylmethyl)phenyl]pyrrolidine-2-carboxamide
CID 119328941
3-(2-methylphenyl)-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]propanamide
CID 86961556
N-[3-(oxan-4-ylsulfanylmethyl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 86961775
N-[3-(oxan-4-ylsulfanylmethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 86961784
(2S)-2-amino-4-methylsulfanyl-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]butanamide;hydrochloride
CID 119328938
N-[3-(oxan-4-ylsulfanylmethyl)phenyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 86961703
2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]acetamide
CID 86961821
N-[3-(oxan-4-ylsulfanylmethyl)phenyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 86961723
1-[3-(oxan-4-ylsulfanylmethyl)phenyl]-3-(2-phenylbutan-2-yl)urea
CID 86962680

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]benzamide?
The IUPAC name of 2-amino-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]benzamide (CID 119945597) is 2-amino-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]benzamide.
What is the SMILES notation for 2-amino-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]benzamide?
The canonical SMILES for 2-amino-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]benzamide is Nc1ccccc1C(=O)Nc1cccc(CSC2CCOCC2)c1.
What is the InChIKey of 2-amino-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]benzamide?
The InChIKey is RWXFDTBRGIUZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c20-18-7-2-1-6-17(18)19(22)21-15-5-3-4-14(12-15)13-24-16-8-10-23-11-9-16/h1-7,12,16H,8-11,13,20H2,(H,21,22).
What are the key properties of 2-amino-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]benzamide?
2-amino-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]benzamide has a molecular weight of 342.46 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]benzamide is sourced from PubChem (CID 119945597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).