2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide

C20H25ClN2O6S2 — CID 43895906

IUPAC2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide
SMILESCCC(NC(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C20H25ClN2O6S2/c1-5-17(14-6-9-16(10-7-14)30(3,25)26)22-20(24)13-23(31(4,27)28)18-12-15(21)8-11-19(18)29-2/h6-12,17H,5,13H2,1-4H3,(H,22,24)
InChIKeyAQUVRFSTABIBLD-UHFFFAOYSA-N
MW489.02 g/mol
LogP2.79
Rot. Bonds9

About 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide

2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide (PubChem CID 43895906) has the molecular formula C20H25ClN2O6S2 and a molecular weight of 489.02 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide
PubChem CID43895906
Molecular FormulaC20H25ClN2O6S2
Molecular Weight489.02 g/mol
Exact Mass488.08
IUPAC Name2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide
SMILESCCC(NC(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C20H25ClN2O6S2/c1-5-17(14-6-9-16(10-7-14)30(3,25)26)22-20(24)13-23(31(4,27)28)18-12-15(21)8-11-19(18)29-2/h6-12,17H,5,13H2,1-4H3,(H,22,24)
InChIKeyAQUVRFSTABIBLD-UHFFFAOYSA-N
XLogP2.79
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.02
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-chloro-2-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide
CID 43898072
2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 99130643
2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-(1-phenylpropyl)acetamide
CID 43885299
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 92676327
2-(3-chloro-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide
CID 43895447
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(3,4-dimethylphenyl)propyl]acetamide
CID 30222970
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43910263
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 2890597
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-methylacetamide
CID 904036
2-(2-methoxy-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 43885818
2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(3,4-dimethoxyphenyl)propyl]acetamide
CID 43894892
2-(2-chloro-N-methylsulfonylanilino)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133161076

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide?
The IUPAC name of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide (CID 43895906) is 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide.
What is the SMILES notation for 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide?
The canonical SMILES for 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide is CCC(NC(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide?
The InChIKey is AQUVRFSTABIBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O6S2/c1-5-17(14-6-9-16(10-7-14)30(3,25)26)22-20(24)13-23(31(4,27)28)18-12-15(21)8-11-19(18)29-2/h6-12,17H,5,13H2,1-4H3,(H,22,24).
What are the key properties of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide?
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide has a molecular weight of 489.02 g/mol, XLogP of 2.79, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide is sourced from PubChem (CID 43895906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).