2-(3-methoxy-2-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide

C19H24N2O5S — CID 22307360

IUPAC2-(3-methoxy-2-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CNc2cccc(OC)c2S(C)(=O)=O)cc1
InChIInChI=1S/C19H24N2O5S/c1-25-15-9-7-14(8-10-15)11-12-20-18(22)13-21-16-5-4-6-17(26-2)19(16)27(3,23)24/h4-10,21H,11-13H2,1-3H3,(H,20,22)
InChIKeyHJVGTIKHKXNNAF-UHFFFAOYSA-N
MW392.48 g/mol
LogP1.88
Rot. Bonds9

About 2-(3-methoxy-2-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide

2-(3-methoxy-2-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 22307360) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-(3-methoxy-2-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-methoxy-2-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID22307360
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC Name2-(3-methoxy-2-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CNc2cccc(OC)c2S(C)(=O)=O)cc1
InChIInChI=1S/C19H24N2O5S/c1-25-15-9-7-14(8-10-15)11-12-20-18(22)13-21-16-5-4-6-17(26-2)19(16)27(3,23)24/h4-10,21H,11-13H2,1-3H3,(H,20,22)
InChIKeyHJVGTIKHKXNNAF-UHFFFAOYSA-N
XLogP1.88
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-2-[2-(trifluoromethyl)anilino]acetamide
CID 109001307
2-(3-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 109001073
2-(4-tert-butylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 109001296
2-(4-bromo-2-chloroanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 55437326
N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-2-phenylacetamide
CID 27548820
N-[2-(4-methoxyphenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 748766
methyl 4-chloro-3-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]benzoate
CID 109001310
2-(3-fluoro-2-methylsulfonylanilino)-N-(3-methoxyphenyl)acetamide
CID 22305201
2-[2-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 22307389
2-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65264125
2-(4-bromo-3-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 26437572
ethyl 4-[2-(3-methoxy-2-methylsulfonylanilino)acetyl]piperazine-1-carboxylate
CID 22307359

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-2-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(3-methoxy-2-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide (CID 22307360) is 2-(3-methoxy-2-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3-methoxy-2-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(3-methoxy-2-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)CNc2cccc(OC)c2S(C)(=O)=O)cc1.
What is the InChIKey of 2-(3-methoxy-2-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is HJVGTIKHKXNNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-25-15-9-7-14(8-10-15)11-12-20-18(22)13-21-16-5-4-6-17(26-2)19(16)27(3,23)24/h4-10,21H,11-13H2,1-3H3,(H,20,22).
What are the key properties of 2-(3-methoxy-2-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
2-(3-methoxy-2-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 392.48 g/mol, XLogP of 1.88, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-2-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 22307360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).