2-[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide

C16H24N2O6S — CID 39076137

IUPAC2-[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide
SMILESCOCCN(CCOC)C(=O)CS(=O)(=O)CC(=O)Nc1ccccc1
InChIInChI=1S/C16H24N2O6S/c1-23-10-8-18(9-11-24-2)16(20)13-25(21,22)12-15(19)17-14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3,(H,17,19)
InChIKeyITYJXWQXFXQCET-UHFFFAOYSA-N
MW372.44 g/mol
LogP0.16
Rot. Bonds11

About 2-[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide

2-[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide (PubChem CID 39076137) has the molecular formula C16H24N2O6S and a molecular weight of 372.44 g/mol. Its IUPAC name is 2-[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide
PubChem CID39076137
Molecular FormulaC16H24N2O6S
Molecular Weight372.44 g/mol
Exact Mass372.14
IUPAC Name2-[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide
SMILESCOCCN(CCOC)C(=O)CS(=O)(=O)CC(=O)Nc1ccccc1
InChIInChI=1S/C16H24N2O6S/c1-23-10-8-18(9-11-24-2)16(20)13-25(21,22)12-15(19)17-14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3,(H,17,19)
InChIKeyITYJXWQXFXQCET-UHFFFAOYSA-N
XLogP0.16
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide
CID 39076171
1,1-bis(2-methoxyethyl)-3-(4-phenylphenyl)urea
CID 108867129
1-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)-3-phenylurea
CID 38283609
2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfonyl-N-phenylacetamide
CID 1180425
2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide
CID 39076157
2-[2-(diethylamino)-2-oxoethyl]sulfonyl-N-(4-fluorophenyl)acetamide
CID 39076319
N-(4-fluorophenyl)-2-[2-(N-methylanilino)-2-oxoethyl]sulfonylacetamide
CID 39076339
2-[[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8785766
3-(2-anilino-2-oxoethyl)sulfonylpropanoic acid
CID 24705214
2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]sulfonyl-N-phenylacetamide
CID 23409029
N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115772786
3,4-dimethoxy-N-phenylbutanamide
CID 57160536

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide?
The IUPAC name of 2-[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide (CID 39076137) is 2-[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide.
What is the SMILES notation for 2-[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide?
The canonical SMILES for 2-[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide is COCCN(CCOC)C(=O)CS(=O)(=O)CC(=O)Nc1ccccc1.
What is the InChIKey of 2-[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide?
The InChIKey is ITYJXWQXFXQCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O6S/c1-23-10-8-18(9-11-24-2)16(20)13-25(21,22)12-15(19)17-14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3,(H,17,19).
What are the key properties of 2-[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide?
2-[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide has a molecular weight of 372.44 g/mol, XLogP of 0.16, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide is sourced from PubChem (CID 39076137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).