(2S)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(2,5-dichlorophenyl)propanamide

C17H17Cl2N3O2S — CID 9044544

IUPAC(2S)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(2,5-dichlorophenyl)propanamide
SMILESC[C@H](Nc1ccccc1SCC(N)=O)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H17Cl2N3O2S/c1-10(17(24)22-14-8-11(18)6-7-12(14)19)21-13-4-2-3-5-15(13)25-9-16(20)23/h2-8,10,21H,9H2,1H3,(H2,20,23)(H,22,24)/t10-/m0/s1
InChIKeyYGZYRGXIEWXTAA-JTQLQIEISA-N
MW398.32 g/mol
LogP4.01
Rot. Bonds7

About (2S)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(2,5-dichlorophenyl)propanamide

(2S)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(2,5-dichlorophenyl)propanamide (PubChem CID 9044544) has the molecular formula C17H17Cl2N3O2S and a molecular weight of 398.32 g/mol. Its IUPAC name is (2S)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(2,5-dichlorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(2,5-dichlorophenyl)propanamide
PubChem CID9044544
Molecular FormulaC17H17Cl2N3O2S
Molecular Weight398.32 g/mol
Exact Mass397.04
IUPAC Name(2S)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(2,5-dichlorophenyl)propanamide
SMILESC[C@H](Nc1ccccc1SCC(N)=O)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H17Cl2N3O2S/c1-10(17(24)22-14-8-11(18)6-7-12(14)19)21-13-4-2-3-5-15(13)25-9-16(20)23/h2-8,10,21H,9H2,1H3,(H2,20,23)(H,22,24)/t10-/m0/s1
InChIKeyYGZYRGXIEWXTAA-JTQLQIEISA-N
XLogP4.01
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.32
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(2,5-dichlorophenyl)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

2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 17403822
2-[2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide
CID 27717418
(2R)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(3-methylphenyl)propanamide
CID 9044547
2-(2,5-dichloroanilino)-N-phenylpropanamide
CID 43083844
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-chloro-2-methylpropanamide
CID 62727753
4-amino-N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-methylbutanamide
CID 80543338
2-[2-[(3,4-dichlorophenyl)carbamoylamino]phenyl]sulfanylacetamide
CID 7997047
N-[4-[[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]amino]phenyl]-2-methylpropanamide
CID 55351392
2-(aminomethyl)-N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-methylbutanamide
CID 65225017
3-amino-N-(2,5-dichlorophenyl)-2-methyl-3-phenylpropanamide
CID 80546727
2-[2-[(5-chloro-2-fluorophenyl)methylamino]phenyl]sulfanylacetamide
CID 115762712
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9043953

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(2,5-dichlorophenyl)propanamide?
The IUPAC name of (2S)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(2,5-dichlorophenyl)propanamide (CID 9044544) is (2S)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(2,5-dichlorophenyl)propanamide.
What is the SMILES notation for (2S)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(2,5-dichlorophenyl)propanamide?
The canonical SMILES for (2S)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(2,5-dichlorophenyl)propanamide is C[C@H](Nc1ccccc1SCC(N)=O)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of (2S)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(2,5-dichlorophenyl)propanamide?
The InChIKey is YGZYRGXIEWXTAA-JTQLQIEISA-N. The full InChI is InChI=1S/C17H17Cl2N3O2S/c1-10(17(24)22-14-8-11(18)6-7-12(14)19)21-13-4-2-3-5-15(13)25-9-16(20)23/h2-8,10,21H,9H2,1H3,(H2,20,23)(H,22,24)/t10-/m0/s1.
What are the key properties of (2S)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(2,5-dichlorophenyl)propanamide?
(2S)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(2,5-dichlorophenyl)propanamide has a molecular weight of 398.32 g/mol, XLogP of 4.01, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(2,5-dichlorophenyl)propanamide is sourced from PubChem (CID 9044544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).