2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide

C19H23ClN2O4S2 — CID 43872670

IUPAC2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)NC(C)c1ccc(SC)cc1
InChIInChI=1S/C19H23ClN2O4S2/c1-13(14-5-8-16(27-4)9-6-14)21-19(23)12-22(2)28(24,25)18-11-15(20)7-10-17(18)26-3/h5-11,13H,12H2,1-4H3,(H,21,23)
InChIKeyLGIZIVKOAWONBF-UHFFFAOYSA-N
MW442.99 g/mol
LogP3.57
Rot. Bonds8

About 2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide

2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide (PubChem CID 43872670) has the molecular formula C19H23ClN2O4S2 and a molecular weight of 442.99 g/mol. Its IUPAC name is 2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide
PubChem CID43872670
Molecular FormulaC19H23ClN2O4S2
Molecular Weight442.99 g/mol
Exact Mass442.08
IUPAC Name2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)NC(C)c1ccc(SC)cc1
InChIInChI=1S/C19H23ClN2O4S2/c1-13(14-5-8-16(27-4)9-6-14)21-19(23)12-22(2)28(24,25)18-11-15(20)7-10-17(18)26-3/h5-11,13H,12H2,1-4H3,(H,21,23)
InChIKeyLGIZIVKOAWONBF-UHFFFAOYSA-N
XLogP3.57
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.99
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-fluoro-2-methoxyphenyl)sulfonyl-methylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 30168616
2-[(5-fluoro-2-methoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28549003
2-(3-chloro-4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 94861515
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 43891537
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[(5-fluoro-2-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 28549007
2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 94861524
N-[1-(4-bromophenyl)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide
CID 43891536
2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 43872424
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide
CID 125053043
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide
CID 100650715
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28544415
2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 94861549

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide?
The IUPAC name of 2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide (CID 43872670) is 2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide is COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)NC(C)c1ccc(SC)cc1.
What is the InChIKey of 2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide?
The InChIKey is LGIZIVKOAWONBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4S2/c1-13(14-5-8-16(27-4)9-6-14)21-19(23)12-22(2)28(24,25)18-11-15(20)7-10-17(18)26-3/h5-11,13H,12H2,1-4H3,(H,21,23).
What are the key properties of 2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide?
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide has a molecular weight of 442.99 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide is sourced from PubChem (CID 43872670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).