N-(2-amino-2-oxoethyl)-3-(benzenesulfonyl)propanamide

C11H14N2O4S — CID 9295458

IUPACN-(2-amino-2-oxoethyl)-3-(benzenesulfonyl)propanamide
SMILESNC(=O)CNC(=O)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H14N2O4S/c12-10(14)8-13-11(15)6-7-18(16,17)9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,12,14)(H,13,15)
InChIKeyPSWFTBYEJLOBOX-UHFFFAOYSA-N
MW270.31 g/mol
LogP-0.55
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-3-(benzenesulfonyl)propanamide

N-(2-amino-2-oxoethyl)-3-(benzenesulfonyl)propanamide (PubChem CID 9295458) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-(benzenesulfonyl)propanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-(benzenesulfonyl)propanamide
PubChem CID9295458
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC NameN-(2-amino-2-oxoethyl)-3-(benzenesulfonyl)propanamide
SMILESNC(=O)CNC(=O)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H14N2O4S/c12-10(14)8-13-11(15)6-7-18(16,17)9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,12,14)(H,13,15)
InChIKeyPSWFTBYEJLOBOX-UHFFFAOYSA-N
XLogP-0.55
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[3-(benzenesulfonyl)propanoylamino]propanoate
CID 60628934
3-(benzenesulfonyl)-N-[2-(diethylamino)ethyl]propanamide;hydrochloride
CID 90483049
methyl 2-[3-(benzenesulfonyl)propanoylamino]propanoate
CID 60638125
N-(2-aminophenyl)-3-(benzenesulfonyl)propanamide
CID 43444138
3-(benzenesulfonyl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)propanamide
CID 71781987
3-(benzenesulfonyl)-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]propanamide
CID 95376514
3-(benzenesulfonyl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide
CID 18159015
N-(4-acetamidophenyl)-3-(benzenesulfonyl)propanamide
CID 17310102
3-(benzenesulfonyl)-N-benzhydrylpropanamide
CID 17310061
3-(benzenesulfonyl)-N-(4-sulfamoylphenyl)propanamide
CID 4285781
3-(benzenesulfonyl)-N-(3-hydroxypentyl)propanamide
CID 115703740
3-(benzenesulfonyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)propanamide
CID 90500079

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3-(benzenesulfonyl)propanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-(benzenesulfonyl)propanamide (CID 9295458) is N-(2-amino-2-oxoethyl)-3-(benzenesulfonyl)propanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-(benzenesulfonyl)propanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-(benzenesulfonyl)propanamide is NC(=O)CNC(=O)CCS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3-(benzenesulfonyl)propanamide?
The InChIKey is PSWFTBYEJLOBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c12-10(14)8-13-11(15)6-7-18(16,17)9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,12,14)(H,13,15).
What are the key properties of N-(2-amino-2-oxoethyl)-3-(benzenesulfonyl)propanamide?
N-(2-amino-2-oxoethyl)-3-(benzenesulfonyl)propanamide has a molecular weight of 270.31 g/mol, XLogP of -0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-3-(benzenesulfonyl)propanamide is sourced from PubChem (CID 9295458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).