N-(2-aminoethyl)-2-(4-methylphenyl)sulfonylacetamide

C11H16N2O3S — CID 64697569

IUPACN-(2-aminoethyl)-2-(4-methylphenyl)sulfonylacetamide
SMILESCc1ccc(S(=O)(=O)CC(=O)NCCN)cc1
InChIInChI=1S/C11H16N2O3S/c1-9-2-4-10(5-3-9)17(15,16)8-11(14)13-7-6-12/h2-5H,6-8,12H2,1H3,(H,13,14)
InChIKeyXMXKBHSAQBDLFZ-UHFFFAOYSA-N
MW256.33 g/mol
LogP-0.16
Rot. Bonds5

About N-(2-aminoethyl)-2-(4-methylphenyl)sulfonylacetamide

N-(2-aminoethyl)-2-(4-methylphenyl)sulfonylacetamide (PubChem CID 64697569) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(4-methylphenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(4-methylphenyl)sulfonylacetamide
PubChem CID64697569
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC NameN-(2-aminoethyl)-2-(4-methylphenyl)sulfonylacetamide
SMILESCc1ccc(S(=O)(=O)CC(=O)NCCN)cc1
InChIInChI=1S/C11H16N2O3S/c1-9-2-4-10(5-3-9)17(15,16)8-11(14)13-7-6-12/h2-5H,6-8,12H2,1H3,(H,13,14)
InChIKeyXMXKBHSAQBDLFZ-UHFFFAOYSA-N
XLogP-0.16
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenyl)sulfonyl-N-propylacetamide
CID 3481576
N-(3-butoxypropyl)-2-(4-methylphenyl)sulfonylacetamide
CID 17309477
N-(3-aminopropyl)-2-(4-chlorophenyl)sulfonylacetamide;hydrochloride
CID 119408635
2-(4-chlorophenyl)sulfonyl-N-propylacetamide
CID 24654499
N-(2,5-dimethylphenyl)-2-(4-methylphenyl)sulfonylacetamide
CID 2966880
2-(4-methylphenyl)sulfonyl-N-pentan-3-ylacetamide
CID 17309471
N-(2-aminoethyl)-2-(3-methoxyphenyl)sulfonylacetamide
CID 64696966
2-(benzenesulfonyl)-N-propylacetamide
CID 4683894
2-(3,4-dimethylphenyl)sulfonyl-N-propylacetamide
CID 47218356
2-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)acetamide
CID 17309406
2-(4-methylphenyl)sulfonylacetyl bromide
CID 71420756
2-(4-chlorophenyl)sulfonyl-N'-(4-methylphenyl)sulfonylacetohydrazide
CID 146673637

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(4-methylphenyl)sulfonylacetamide?
The IUPAC name of N-(2-aminoethyl)-2-(4-methylphenyl)sulfonylacetamide (CID 64697569) is N-(2-aminoethyl)-2-(4-methylphenyl)sulfonylacetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(4-methylphenyl)sulfonylacetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(4-methylphenyl)sulfonylacetamide is Cc1ccc(S(=O)(=O)CC(=O)NCCN)cc1.
What is the InChIKey of N-(2-aminoethyl)-2-(4-methylphenyl)sulfonylacetamide?
The InChIKey is XMXKBHSAQBDLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-9-2-4-10(5-3-9)17(15,16)8-11(14)13-7-6-12/h2-5H,6-8,12H2,1H3,(H,13,14).
What are the key properties of N-(2-aminoethyl)-2-(4-methylphenyl)sulfonylacetamide?
N-(2-aminoethyl)-2-(4-methylphenyl)sulfonylacetamide has a molecular weight of 256.33 g/mol, XLogP of -0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(4-methylphenyl)sulfonylacetamide is sourced from PubChem (CID 64697569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).