2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(5-chloro-2-methoxyphenyl)propanamide

C18H20ClN3O3S — CID 17403822

IUPAC2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(5-chloro-2-methoxyphenyl)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(C)Nc1ccccc1SCC(N)=O
InChIInChI=1S/C18H20ClN3O3S/c1-11(18(24)22-14-9-12(19)7-8-15(14)25-2)21-13-5-3-4-6-16(13)26-10-17(20)23/h3-9,11,21H,10H2,1-2H3,(H2,20,23)(H,22,24)
InChIKeyWALYQLDCBOGKLU-UHFFFAOYSA-N
MW393.90 g/mol
LogP3.37
Rot. Bonds8

About 2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(5-chloro-2-methoxyphenyl)propanamide

2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(5-chloro-2-methoxyphenyl)propanamide (PubChem CID 17403822) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is 2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(5-chloro-2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(5-chloro-2-methoxyphenyl)propanamide
PubChem CID17403822
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC Name2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(5-chloro-2-methoxyphenyl)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(C)Nc1ccccc1SCC(N)=O
InChIInChI=1S/C18H20ClN3O3S/c1-11(18(24)22-14-9-12(19)7-8-15(14)25-2)21-13-5-3-4-6-16(13)26-10-17(20)23/h3-9,11,21H,10H2,1-2H3,(H2,20,23)(H,22,24)
InChIKeyWALYQLDCBOGKLU-UHFFFAOYSA-N
XLogP3.37
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(5-chloro-2-methoxyphenyl)propanamide 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

(2S)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(2,5-dichlorophenyl)propanamide
CID 9044544
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethoxy-2-methylanilino)propanamide
CID 30376996
(2S)-2-amino-N-(5-chloro-2-methoxyphenyl)propanamide;hydrochloride
CID 119262144
N-(5-chloro-2-methoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide
CID 42911755
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-ethylanilino)propanamide
CID 7928705
2-(3-acetamidoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 17480510
(2S)-N-(5-chloro-2-methoxyphenyl)-2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanamide
CID 7590323
(2R)-N-(5-chloro-2-methoxyphenyl)-2-[[(2R)-2-(dimethylamino)-2-phenylethyl]amino]propanamide
CID 8004337
N-(5-chloro-2-methoxyphenyl)-2-[(1S)-1-phenylethyl]sulfanylacetamide
CID 7509869
(2R)-N-(5-chloro-2-methoxyphenyl)-2-methoxy-2-phenylacetamide
CID 815936
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(2-methoxyphenoxy)butanamide
CID 40746091
N-(5-chloro-2-methoxyphenyl)-2-(2-fluorophenoxy)propanamide
CID 3318555

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(5-chloro-2-methoxyphenyl)propanamide?
The IUPAC name of 2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(5-chloro-2-methoxyphenyl)propanamide (CID 17403822) is 2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(5-chloro-2-methoxyphenyl)propanamide.
What is the SMILES notation for 2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(5-chloro-2-methoxyphenyl)propanamide?
The canonical SMILES for 2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(5-chloro-2-methoxyphenyl)propanamide is COc1ccc(Cl)cc1NC(=O)C(C)Nc1ccccc1SCC(N)=O.
What is the InChIKey of 2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(5-chloro-2-methoxyphenyl)propanamide?
The InChIKey is WALYQLDCBOGKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c1-11(18(24)22-14-9-12(19)7-8-15(14)25-2)21-13-5-3-4-6-16(13)26-10-17(20)23/h3-9,11,21H,10H2,1-2H3,(H2,20,23)(H,22,24).
What are the key properties of 2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(5-chloro-2-methoxyphenyl)propanamide?
2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(5-chloro-2-methoxyphenyl)propanamide has a molecular weight of 393.90 g/mol, XLogP of 3.37, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(5-chloro-2-methoxyphenyl)propanamide is sourced from PubChem (CID 17403822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).