N-(2-aminoethyl)-2-(3-methoxyphenyl)sulfonylacetamide

C11H16N2O4S — CID 64696966

IUPACN-(2-aminoethyl)-2-(3-methoxyphenyl)sulfonylacetamide
SMILESCOc1cccc(S(=O)(=O)CC(=O)NCCN)c1
InChIInChI=1S/C11H16N2O4S/c1-17-9-3-2-4-10(7-9)18(15,16)8-11(14)13-6-5-12/h2-4,7H,5-6,8,12H2,1H3,(H,13,14)
InChIKeyJQCHSHXRJUFJGD-UHFFFAOYSA-N
MW272.33 g/mol
LogP-0.46
Rot. Bonds6

About N-(2-aminoethyl)-2-(3-methoxyphenyl)sulfonylacetamide

N-(2-aminoethyl)-2-(3-methoxyphenyl)sulfonylacetamide (PubChem CID 64696966) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(3-methoxyphenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(3-methoxyphenyl)sulfonylacetamide
PubChem CID64696966
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC NameN-(2-aminoethyl)-2-(3-methoxyphenyl)sulfonylacetamide
SMILESCOc1cccc(S(=O)(=O)CC(=O)NCCN)c1
InChIInChI=1S/C11H16N2O4S/c1-17-9-3-2-4-10(7-9)18(15,16)8-11(14)13-6-5-12/h2-4,7H,5-6,8,12H2,1H3,(H,13,14)
InChIKeyJQCHSHXRJUFJGD-UHFFFAOYSA-N
XLogP-0.46
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-(3-methoxyphenyl)sulfonyl-4-oxopentanoate
CID 103485778
1-(4-bromophenyl)-2-(3-methoxyphenyl)sulfonylethanone
CID 64641583
3-(3-methoxyphenyl)sulfonylpropanoic acid
CID 16786519
2-(benzenesulfonyl)-N-(2-methoxyethyl)acetamide
CID 4669568
1-(fluoromethylsulfonyl)-3-methoxybenzene
CID 84721809
1-(2-aminoethyl)-3-[(3-methoxyphenyl)methyl]urea
CID 117235446
N-(2-cyanoethyl)-2-(3-methoxyphenyl)sulfonyl-N-methylacetamide
CID 64689740
1-(2,5-dimethylthiophen-3-yl)-2-(3-methoxyphenyl)sulfonylethanone
CID 64641956
2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22690352
2-(3-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 1486366
3-methoxybenzenesulfonamide
CID 14763060
2-(benzenesulfonyl)-N-propylacetamide
CID 4683894

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(3-methoxyphenyl)sulfonylacetamide?
The IUPAC name of N-(2-aminoethyl)-2-(3-methoxyphenyl)sulfonylacetamide (CID 64696966) is N-(2-aminoethyl)-2-(3-methoxyphenyl)sulfonylacetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(3-methoxyphenyl)sulfonylacetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(3-methoxyphenyl)sulfonylacetamide is COc1cccc(S(=O)(=O)CC(=O)NCCN)c1.
What is the InChIKey of N-(2-aminoethyl)-2-(3-methoxyphenyl)sulfonylacetamide?
The InChIKey is JQCHSHXRJUFJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-17-9-3-2-4-10(7-9)18(15,16)8-11(14)13-6-5-12/h2-4,7H,5-6,8,12H2,1H3,(H,13,14).
What are the key properties of N-(2-aminoethyl)-2-(3-methoxyphenyl)sulfonylacetamide?
N-(2-aminoethyl)-2-(3-methoxyphenyl)sulfonylacetamide has a molecular weight of 272.33 g/mol, XLogP of -0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(3-methoxyphenyl)sulfonylacetamide is sourced from PubChem (CID 64696966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).