N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(4-oxo-1H-pyridin-3-yl)sulfanyl]benzamide

C24H18FN3O2S — CID 168913846

IUPACN-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(4-oxo-1H-pyridin-3-yl)sulfanyl]benzamide
SMILESNc1ccc(-c2ccc(F)cc2)cc1NC(=O)c1ccc(Sc2c[nH]ccc2=O)cc1
InChIInChI=1S/C24H18FN3O2S/c25-18-6-1-15(2-7-18)17-5-10-20(26)21(13-17)28-24(30)16-3-8-19(9-4-16)31-23-14-27-12-11-22(23)29/h1-14H,26H2,(H,27,29)(H,28,30)
InChIKeyQVUKUDUBXIEOCR-UHFFFAOYSA-N
MW431.49 g/mol
LogP5.17
Rot. Bonds5

About N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(4-oxo-1H-pyridin-3-yl)sulfanyl]benzamide

N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(4-oxo-1H-pyridin-3-yl)sulfanyl]benzamide (PubChem CID 168913846) has the molecular formula C24H18FN3O2S and a molecular weight of 431.49 g/mol. Its IUPAC name is N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(4-oxo-1H-pyridin-3-yl)sulfanyl]benzamide.

Molecular Properties

Compound NameN-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(4-oxo-1H-pyridin-3-yl)sulfanyl]benzamide
PubChem CID168913846
Molecular FormulaC24H18FN3O2S
Molecular Weight431.49 g/mol
Exact Mass431.11
IUPAC NameN-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(4-oxo-1H-pyridin-3-yl)sulfanyl]benzamide
SMILESNc1ccc(-c2ccc(F)cc2)cc1NC(=O)c1ccc(Sc2c[nH]ccc2=O)cc1
InChIInChI=1S/C24H18FN3O2S/c25-18-6-1-15(2-7-18)17-5-10-20(26)21(13-17)28-24(30)16-3-8-19(9-4-16)31-23-14-27-12-11-22(23)29/h1-14H,26H2,(H,27,29)(H,28,30)
InChIKeyQVUKUDUBXIEOCR-UHFFFAOYSA-N
XLogP5.17
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.49
LogP ≤ 55.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(4-oxo-1H-pyridin-3-yl)sulfanyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(2-amino-5-pyridin-4-ylphenyl)-4-methylsulfanylbenzamide
CID 168913976
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-(methylsulfonimidoyl)benzamide
CID 167993671
N-[2-amino-5-(4-fluorophenyl)phenyl]-6-methylsulfanylpyridine-3-carboxamide
CID 168913880
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[[5-(2-methoxyethoxymethyl)-3-pyridinyl]sulfanyl]benzamide
CID 168913828
N-[5-(4-fluorophenyl)-2-hydroxyphenyl]-4-methylsulfanylbenzamide
CID 168913853
N-[1,3-dimethyl-6-(4-methylphenyl)sulfanyl-2-oxobenzimidazol-5-yl]-4-fluorobenzamide
CID 50773255
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-(cyclopropylsulfonimidoyl)benzamide
CID 168792549
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[[2-methyl-2-(2-oxopyrrolidin-1-yl)propanoyl]amino]benzamide
CID 59610135
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-(N-ethyl-S-methylsulfonimidoyl)benzamide
CID 168792625
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[[(2R)-2-(2-oxopyrrolidin-1-yl)propanoyl]amino]benzamide
CID 59610134

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(4-oxo-1H-pyridin-3-yl)sulfanyl]benzamide?
The IUPAC name of N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(4-oxo-1H-pyridin-3-yl)sulfanyl]benzamide (CID 168913846) is N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(4-oxo-1H-pyridin-3-yl)sulfanyl]benzamide.
What is the SMILES notation for N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(4-oxo-1H-pyridin-3-yl)sulfanyl]benzamide?
The canonical SMILES for N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(4-oxo-1H-pyridin-3-yl)sulfanyl]benzamide is Nc1ccc(-c2ccc(F)cc2)cc1NC(=O)c1ccc(Sc2c[nH]ccc2=O)cc1.
What is the InChIKey of N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(4-oxo-1H-pyridin-3-yl)sulfanyl]benzamide?
The InChIKey is QVUKUDUBXIEOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O2S/c25-18-6-1-15(2-7-18)17-5-10-20(26)21(13-17)28-24(30)16-3-8-19(9-4-16)31-23-14-27-12-11-22(23)29/h1-14H,26H2,(H,27,29)(H,28,30).
What are the key properties of N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(4-oxo-1H-pyridin-3-yl)sulfanyl]benzamide?
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(4-oxo-1H-pyridin-3-yl)sulfanyl]benzamide has a molecular weight of 431.49 g/mol, XLogP of 5.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(4-oxo-1H-pyridin-3-yl)sulfanyl]benzamide is sourced from PubChem (CID 168913846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).