N-(4-chlorophenyl)-2-[2-oxo-2-(quinolin-3-ylamino)ethyl]sulfinylacetamide;hydrochloride

C19H17Cl2N3O3S — CID 24762124

IUPACN-(4-chlorophenyl)-2-[2-oxo-2-(quinolin-3-ylamino)ethyl]sulfinylacetamide;hydrochloride
SMILESCl.O=C(CS(=O)CC(=O)Nc1cnc2ccccc2c1)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H16ClN3O3S.ClH/c20-14-5-7-15(8-6-14)22-18(24)11-27(26)12-19(25)23-16-9-13-3-1-2-4-17(13)21-10-16;/h1-10H,11-12H2,(H,22,24)(H,23,25);1H
InChIKeyPBLUAUITBQOITA-UHFFFAOYSA-N
MW438.34 g/mol
LogP3.64
Rot. Bonds6

About N-(4-chlorophenyl)-2-[2-oxo-2-(quinolin-3-ylamino)ethyl]sulfinylacetamide;hydrochloride

N-(4-chlorophenyl)-2-[2-oxo-2-(quinolin-3-ylamino)ethyl]sulfinylacetamide;hydrochloride (PubChem CID 24762124) has the molecular formula C19H17Cl2N3O3S and a molecular weight of 438.34 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[2-oxo-2-(quinolin-3-ylamino)ethyl]sulfinylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[2-oxo-2-(quinolin-3-ylamino)ethyl]sulfinylacetamide;hydrochloride
PubChem CID24762124
Molecular FormulaC19H17Cl2N3O3S
Molecular Weight438.34 g/mol
Exact Mass437.04
IUPAC NameN-(4-chlorophenyl)-2-[2-oxo-2-(quinolin-3-ylamino)ethyl]sulfinylacetamide;hydrochloride
SMILESCl.O=C(CS(=O)CC(=O)Nc1cnc2ccccc2c1)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H16ClN3O3S.ClH/c20-14-5-7-15(8-6-14)22-18(24)11-27(26)12-19(25)23-16-9-13-3-1-2-4-17(13)21-10-16;/h1-10H,11-12H2,(H,22,24)(H,23,25);1H
InChIKeyPBLUAUITBQOITA-UHFFFAOYSA-N
XLogP3.64
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.34
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-chlorophenyl)-2-[2-oxo-2-(quinolin-3-ylamino)ethyl]sulfinylacetamide;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[2-oxo-2-(quinolin-3-ylamino)ethyl]sulfinylacetamide;hydrochloride?
The IUPAC name of N-(4-chlorophenyl)-2-[2-oxo-2-(quinolin-3-ylamino)ethyl]sulfinylacetamide;hydrochloride (CID 24762124) is N-(4-chlorophenyl)-2-[2-oxo-2-(quinolin-3-ylamino)ethyl]sulfinylacetamide;hydrochloride.
What is the SMILES notation for N-(4-chlorophenyl)-2-[2-oxo-2-(quinolin-3-ylamino)ethyl]sulfinylacetamide;hydrochloride?
The canonical SMILES for N-(4-chlorophenyl)-2-[2-oxo-2-(quinolin-3-ylamino)ethyl]sulfinylacetamide;hydrochloride is Cl.O=C(CS(=O)CC(=O)Nc1cnc2ccccc2c1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[2-oxo-2-(quinolin-3-ylamino)ethyl]sulfinylacetamide;hydrochloride?
The InChIKey is PBLUAUITBQOITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3S.ClH/c20-14-5-7-15(8-6-14)22-18(24)11-27(26)12-19(25)23-16-9-13-3-1-2-4-17(13)21-10-16;/h1-10H,11-12H2,(H,22,24)(H,23,25);1H.
What are the key properties of N-(4-chlorophenyl)-2-[2-oxo-2-(quinolin-3-ylamino)ethyl]sulfinylacetamide;hydrochloride?
N-(4-chlorophenyl)-2-[2-oxo-2-(quinolin-3-ylamino)ethyl]sulfinylacetamide;hydrochloride has a molecular weight of 438.34 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[2-oxo-2-(quinolin-3-ylamino)ethyl]sulfinylacetamide;hydrochloride is sourced from PubChem (CID 24762124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).