5-amino-2-(2-phenylsulfanylanilino)-N-propylbenzamide

C22H23N3OS — CID 100654405

IUPAC5-amino-2-(2-phenylsulfanylanilino)-N-propylbenzamide
SMILESCCCNC(=O)c1cc(N)ccc1Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C22H23N3OS/c1-2-14-24-22(26)18-15-16(23)12-13-19(18)25-20-10-6-7-11-21(20)27-17-8-4-3-5-9-17/h3-13,15,25H,2,14,23H2,1H3,(H,24,26)
InChIKeyXAUCVOSNIUVXRJ-UHFFFAOYSA-N
MW377.51 g/mol
LogP5.30
Rot. Bonds7

About 5-amino-2-(2-phenylsulfanylanilino)-N-propylbenzamide

5-amino-2-(2-phenylsulfanylanilino)-N-propylbenzamide (PubChem CID 100654405) has the molecular formula C22H23N3OS and a molecular weight of 377.51 g/mol. Its IUPAC name is 5-amino-2-(2-phenylsulfanylanilino)-N-propylbenzamide.

Molecular Properties

Compound Name5-amino-2-(2-phenylsulfanylanilino)-N-propylbenzamide
PubChem CID100654405
Molecular FormulaC22H23N3OS
Molecular Weight377.51 g/mol
Exact Mass377.16
IUPAC Name5-amino-2-(2-phenylsulfanylanilino)-N-propylbenzamide
SMILESCCCNC(=O)c1cc(N)ccc1Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C22H23N3OS/c1-2-14-24-22(26)18-15-16(23)12-13-19(18)25-20-10-6-7-11-21(20)27-17-8-4-3-5-9-17/h3-13,15,25H,2,14,23H2,1H3,(H,24,26)
InChIKeyXAUCVOSNIUVXRJ-UHFFFAOYSA-N
XLogP5.30
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.51
LogP ≤ 55.30
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

5-amino-2-(2-ethylanilino)-N-propylbenzamide
CID 100643869
5-amino-2-(2-fluoroanilino)-N-propylbenzamide
CID 100644644
5-amino-2-(4-methylanilino)-N-propylbenzamide
CID 100642805
5-amino-2-(4-chloroanilino)-N-propylbenzamide
CID 100645514
5-amino-2-(3,4-dimethylanilino)-N-propylbenzamide
CID 100643509
5-amino-2-[[(2R)-butan-2-yl]amino]-N-propylbenzamide
CID 100639001
5-amino-N-propyl-2-[3-(trifluoromethyl)anilino]benzamide
CID 100648066
5-amino-2-hydroxy-N-propylbenzamide
CID 19822912
2-hydrazinyl-N-propylbenzamide
CID 62238054
N-(2-phenylsulfanylphenyl)-2-(propylamino)acetamide
CID 60648203
5-amino-2-(2-ethylanilino)benzamide
CID 61306914
5-amino-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-propylbenzamide
CID 100641388

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-phenylsulfanylanilino)-N-propylbenzamide?
The IUPAC name of 5-amino-2-(2-phenylsulfanylanilino)-N-propylbenzamide (CID 100654405) is 5-amino-2-(2-phenylsulfanylanilino)-N-propylbenzamide.
What is the SMILES notation for 5-amino-2-(2-phenylsulfanylanilino)-N-propylbenzamide?
The canonical SMILES for 5-amino-2-(2-phenylsulfanylanilino)-N-propylbenzamide is CCCNC(=O)c1cc(N)ccc1Nc1ccccc1Sc1ccccc1.
What is the InChIKey of 5-amino-2-(2-phenylsulfanylanilino)-N-propylbenzamide?
The InChIKey is XAUCVOSNIUVXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3OS/c1-2-14-24-22(26)18-15-16(23)12-13-19(18)25-20-10-6-7-11-21(20)27-17-8-4-3-5-9-17/h3-13,15,25H,2,14,23H2,1H3,(H,24,26).
What are the key properties of 5-amino-2-(2-phenylsulfanylanilino)-N-propylbenzamide?
5-amino-2-(2-phenylsulfanylanilino)-N-propylbenzamide has a molecular weight of 377.51 g/mol, XLogP of 5.30, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-phenylsulfanylanilino)-N-propylbenzamide is sourced from PubChem (CID 100654405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).