N-[2-amino-5-(4-fluorophenyl)phenyl]-4-ethylsulfanylbenzamide

C21H19FN2OS — CID 168913873

IUPACN-[2-amino-5-(4-fluorophenyl)phenyl]-4-ethylsulfanylbenzamide
SMILESCCSc1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)ccc2N)cc1
InChIInChI=1S/C21H19FN2OS/c1-2-26-18-10-5-15(6-11-18)21(25)24-20-13-16(7-12-19(20)23)14-3-8-17(22)9-4-14/h3-13H,2,23H2,1H3,(H,24,25)
InChIKeyLCQKRRAQQRTOKJ-UHFFFAOYSA-N
MW366.46 g/mol
LogP5.44
Rot. Bonds5

About N-[2-amino-5-(4-fluorophenyl)phenyl]-4-ethylsulfanylbenzamide

N-[2-amino-5-(4-fluorophenyl)phenyl]-4-ethylsulfanylbenzamide (PubChem CID 168913873) has the molecular formula C21H19FN2OS and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[2-amino-5-(4-fluorophenyl)phenyl]-4-ethylsulfanylbenzamide.

Molecular Properties

Compound NameN-[2-amino-5-(4-fluorophenyl)phenyl]-4-ethylsulfanylbenzamide
PubChem CID168913873
Molecular FormulaC21H19FN2OS
Molecular Weight366.46 g/mol
Exact Mass366.12
IUPAC NameN-[2-amino-5-(4-fluorophenyl)phenyl]-4-ethylsulfanylbenzamide
SMILESCCSc1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)ccc2N)cc1
InChIInChI=1S/C21H19FN2OS/c1-2-26-18-10-5-15(6-11-18)21(25)24-20-13-16(7-12-19(20)23)14-3-8-17(22)9-4-14/h3-13H,2,23H2,1H3,(H,24,25)
InChIKeyLCQKRRAQQRTOKJ-UHFFFAOYSA-N
XLogP5.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-amino-5-(4-fluorophenyl)phenyl]-4-ethylsulfanylbenzamide 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-(N-ethyl-S-methylsulfonimidoyl)benzamide
CID 168792625
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-(methylsulfonimidoyl)benzamide
CID 167993671
N-(2-amino-5-pyridin-4-ylphenyl)-4-methylsulfanylbenzamide
CID 168913976
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(5-prop-1-en-2-yl-3-pyridinyl)sulfanyl]benzamide
CID 168913889
N-[2-amino-5-(4-fluorophenyl)phenyl]-6-methylsulfanylpyridine-3-carboxamide
CID 168913880
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(4-oxo-1H-pyridin-3-yl)sulfanyl]benzamide
CID 168913846
N-[5-(4-fluorophenyl)-2-hydroxyphenyl]-4-methylsulfanylbenzamide
CID 168913853
[4-[4-amino-3-[(4-propylbenzoyl)amino]phenyl]phenyl] thiohypoiodite
CID 126723287
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-(cyclopropylsulfonimidoyl)benzamide
CID 168792549
N-(2-amino-5-phenylphenyl)-4-propan-2-ylbenzamide
CID 126707746
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[[2-methyl-2-(2-oxopyrrolidin-1-yl)propanoyl]amino]benzamide
CID 59610135

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-(4-fluorophenyl)phenyl]-4-ethylsulfanylbenzamide?
The IUPAC name of N-[2-amino-5-(4-fluorophenyl)phenyl]-4-ethylsulfanylbenzamide (CID 168913873) is N-[2-amino-5-(4-fluorophenyl)phenyl]-4-ethylsulfanylbenzamide.
What is the SMILES notation for N-[2-amino-5-(4-fluorophenyl)phenyl]-4-ethylsulfanylbenzamide?
The canonical SMILES for N-[2-amino-5-(4-fluorophenyl)phenyl]-4-ethylsulfanylbenzamide is CCSc1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)ccc2N)cc1.
What is the InChIKey of N-[2-amino-5-(4-fluorophenyl)phenyl]-4-ethylsulfanylbenzamide?
The InChIKey is LCQKRRAQQRTOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2OS/c1-2-26-18-10-5-15(6-11-18)21(25)24-20-13-16(7-12-19(20)23)14-3-8-17(22)9-4-14/h3-13H,2,23H2,1H3,(H,24,25).
What are the key properties of N-[2-amino-5-(4-fluorophenyl)phenyl]-4-ethylsulfanylbenzamide?
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-ethylsulfanylbenzamide has a molecular weight of 366.46 g/mol, XLogP of 5.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-(4-fluorophenyl)phenyl]-4-ethylsulfanylbenzamide is sourced from PubChem (CID 168913873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).