4-amino-N-[4-[(2-oxo-1H-pyridin-4-yl)sulfanyl]phenyl]benzamide;ethane

C20H21N3O2S — CID 143790506

IUPAC4-amino-N-[4-[(2-oxo-1H-pyridin-4-yl)sulfanyl]phenyl]benzamide;ethane
SMILESCC.Nc1ccc(C(=O)Nc2ccc(Sc3cc[nH]c(=O)c3)cc2)cc1
InChIInChI=1S/C18H15N3O2S.C2H6/c19-13-3-1-12(2-4-13)18(23)21-14-5-7-15(8-6-14)24-16-9-10-20-17(22)11-16;1-2/h1-11H,19H2,(H,20,22)(H,21,23);1-2H3
InChIKeyMCPSKQICXGJGJW-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.39
Rot. Bonds4

About 4-amino-N-[4-[(2-oxo-1H-pyridin-4-yl)sulfanyl]phenyl]benzamide;ethane

4-amino-N-[4-[(2-oxo-1H-pyridin-4-yl)sulfanyl]phenyl]benzamide;ethane (PubChem CID 143790506) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 4-amino-N-[4-[(2-oxo-1H-pyridin-4-yl)sulfanyl]phenyl]benzamide;ethane.

Molecular Properties

Compound Name4-amino-N-[4-[(2-oxo-1H-pyridin-4-yl)sulfanyl]phenyl]benzamide;ethane
PubChem CID143790506
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name4-amino-N-[4-[(2-oxo-1H-pyridin-4-yl)sulfanyl]phenyl]benzamide;ethane
SMILESCC.Nc1ccc(C(=O)Nc2ccc(Sc3cc[nH]c(=O)c3)cc2)cc1
InChIInChI=1S/C18H15N3O2S.C2H6/c19-13-3-1-12(2-4-13)18(23)21-14-5-7-15(8-6-14)24-16-9-10-20-17(22)11-16;1-2/h1-11H,19H2,(H,20,22)(H,21,23);1-2H3
InChIKeyMCPSKQICXGJGJW-UHFFFAOYSA-N
XLogP4.39
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-aminophenyl)sulfanyl-1H-pyridin-2-one
CID 59457948
4-amino-N-[4-[4-[(4-aminobenzoyl)amino]-2-methylphenyl]sulfanylphenyl]benzamide
CID 162701118
4-amino-N-(4-aminophenyl)benzamide;ethanamine
CID 19078068
4-amino-N-[4-[3-amino-5-[4-[(4-aminobenzoyl)amino]phenyl]phenyl]phenyl]benzamide
CID 150367219
4-chloro-N-[4-(4-chlorophenyl)sulfanylphenyl]benzamide
CID 12734406
N-(4-aminophenyl)benzamide;ethane;ethene
CID 144544387
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-fluorobenzamide
CID 24591939
N-(4-aminophenyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide
CID 63215140
N-(4-amino-2-methylphenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103807580
4-amino-N-[4-[[4-[(4-aminobenzoyl)amino]phenyl]diazenyl]phenyl]benzamide
CID 134597340
N-(4-aminophenyl)-4-(2-methylpropanoyl)benzamide;2-methylpropane
CID 144512975
4-acetamido-N-[3-amino-4-(4-hydroxyphenyl)sulfanylphenyl]benzamide
CID 67040240

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-[(2-oxo-1H-pyridin-4-yl)sulfanyl]phenyl]benzamide;ethane?
The IUPAC name of 4-amino-N-[4-[(2-oxo-1H-pyridin-4-yl)sulfanyl]phenyl]benzamide;ethane (CID 143790506) is 4-amino-N-[4-[(2-oxo-1H-pyridin-4-yl)sulfanyl]phenyl]benzamide;ethane.
What is the SMILES notation for 4-amino-N-[4-[(2-oxo-1H-pyridin-4-yl)sulfanyl]phenyl]benzamide;ethane?
The canonical SMILES for 4-amino-N-[4-[(2-oxo-1H-pyridin-4-yl)sulfanyl]phenyl]benzamide;ethane is CC.Nc1ccc(C(=O)Nc2ccc(Sc3cc[nH]c(=O)c3)cc2)cc1.
What is the InChIKey of 4-amino-N-[4-[(2-oxo-1H-pyridin-4-yl)sulfanyl]phenyl]benzamide;ethane?
The InChIKey is MCPSKQICXGJGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S.C2H6/c19-13-3-1-12(2-4-13)18(23)21-14-5-7-15(8-6-14)24-16-9-10-20-17(22)11-16;1-2/h1-11H,19H2,(H,20,22)(H,21,23);1-2H3.
What are the key properties of 4-amino-N-[4-[(2-oxo-1H-pyridin-4-yl)sulfanyl]phenyl]benzamide;ethane?
4-amino-N-[4-[(2-oxo-1H-pyridin-4-yl)sulfanyl]phenyl]benzamide;ethane has a molecular weight of 367.47 g/mol, XLogP of 4.39, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-[(2-oxo-1H-pyridin-4-yl)sulfanyl]phenyl]benzamide;ethane is sourced from PubChem (CID 143790506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).