2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide

C21H25ClN2O5S — CID 2947381

IUPAC2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
SMILESCCOc1ccccc1N(CC(=O)NCC1CCCO1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H25ClN2O5S/c1-2-28-20-8-4-3-7-19(20)24(15-21(25)23-14-17-6-5-13-29-17)30(26,27)18-11-9-16(22)10-12-18/h3-4,7-12,17H,2,5-6,13-15H2,1H3,(H,23,25)
InChIKeyZAYYGOFLGNADPO-UHFFFAOYSA-N
MW452.96 g/mol
LogP3.23
Rot. Bonds9

About 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide

2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 2947381) has the molecular formula C21H25ClN2O5S and a molecular weight of 452.96 g/mol. Its IUPAC name is 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID2947381
Molecular FormulaC21H25ClN2O5S
Molecular Weight452.96 g/mol
Exact Mass452.12
IUPAC Name2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
SMILESCCOc1ccccc1N(CC(=O)NCC1CCCO1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H25ClN2O5S/c1-2-28-20-8-4-3-7-19(20)24(15-21(25)23-14-17-6-5-13-29-17)30(26,27)18-11-9-16(22)10-12-18/h3-4,7-12,17H,2,5-6,13-15H2,1H3,(H,23,25)
InChIKeyZAYYGOFLGNADPO-UHFFFAOYSA-N
XLogP3.23
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.96
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 3984975
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]acetamide
CID 100576038
2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 3143342
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1143030
2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1129536
2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-(oxolan-2-ylmethyl)acetamide
CID 4190035
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1138641
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 9003858
2-(4-chloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 976928
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 2897190
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1143041
2-[(4-chlorophenyl)sulfonylamino]-N-(2-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
CID 3207132

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide (CID 2947381) is 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide is CCOc1ccccc1N(CC(=O)NCC1CCCO1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is ZAYYGOFLGNADPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O5S/c1-2-28-20-8-4-3-7-19(20)24(15-21(25)23-14-17-6-5-13-29-17)30(26,27)18-11-9-16(22)10-12-18/h3-4,7-12,17H,2,5-6,13-15H2,1H3,(H,23,25).
What are the key properties of 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide?
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 452.96 g/mol, XLogP of 3.23, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 2947381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).