2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)propanamide

C18H20Cl2N2O3S2 — CID 132674141

IUPAC2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)propanamide
SMILESCCSc1ccccc1NC(=O)C(C)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C18H20Cl2N2O3S2/c1-4-26-17-8-6-5-7-16(17)21-18(23)12(2)22(27(3,24)25)13-9-10-14(19)15(20)11-13/h5-12H,4H2,1-3H3,(H,21,23)
InChIKeyIJYUNUBJYGAMKO-UHFFFAOYSA-N
MW447.41 g/mol
LogP4.90
Rot. Bonds7

About 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)propanamide

2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)propanamide (PubChem CID 132674141) has the molecular formula C18H20Cl2N2O3S2 and a molecular weight of 447.41 g/mol. Its IUPAC name is 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)propanamide
PubChem CID132674141
Molecular FormulaC18H20Cl2N2O3S2
Molecular Weight447.41 g/mol
Exact Mass446.03
IUPAC Name2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)propanamide
SMILESCCSc1ccccc1NC(=O)C(C)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C18H20Cl2N2O3S2/c1-4-26-17-8-6-5-7-16(17)21-18(23)12(2)22(27(3,24)25)13-9-10-14(19)15(20)11-13/h5-12H,4H2,1-3H3,(H,21,23)
InChIKeyIJYUNUBJYGAMKO-UHFFFAOYSA-N
XLogP4.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.41
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)propanamide
CID 99954361
N-(2-chlorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)propanamide
CID 132666717
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)propanamide
CID 94013354
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 132664782
(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)propanamide
CID 99131983
N-(4-chlorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)propanamide
CID 132666721
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 132663359
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)propanamide
CID 40965051
2-(3-chloro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 53281520
(2S)-N-(2-ethylsulfanylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 30390281
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)propanamide
CID 7342420
(2S)-N-(2-chlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 1322346

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)propanamide?
The IUPAC name of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)propanamide (CID 132674141) is 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)propanamide.
What is the SMILES notation for 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)propanamide?
The canonical SMILES for 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)propanamide is CCSc1ccccc1NC(=O)C(C)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O.
What is the InChIKey of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)propanamide?
The InChIKey is IJYUNUBJYGAMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O3S2/c1-4-26-17-8-6-5-7-16(17)21-18(23)12(2)22(27(3,24)25)13-9-10-14(19)15(20)11-13/h5-12H,4H2,1-3H3,(H,21,23).
What are the key properties of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)propanamide?
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)propanamide has a molecular weight of 447.41 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)propanamide is sourced from PubChem (CID 132674141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).