ethyl 2-[(4-methylphenyl)sulfonyl-(2-oxopropyl)amino]acetate

C14H19NO5S — CID 42874720

IUPACethyl 2-[(4-methylphenyl)sulfonyl-(2-oxopropyl)amino]acetate
SMILESCCOC(=O)CN(CC(C)=O)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H19NO5S/c1-4-20-14(17)10-15(9-12(3)16)21(18,19)13-7-5-11(2)6-8-13/h5-8H,4,9-10H2,1-3H3
InChIKeySUFMQYKLMCORBQ-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.14
Rot. Bonds7

About ethyl 2-[(4-methylphenyl)sulfonyl-(2-oxopropyl)amino]acetate

ethyl 2-[(4-methylphenyl)sulfonyl-(2-oxopropyl)amino]acetate (PubChem CID 42874720) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is ethyl 2-[(4-methylphenyl)sulfonyl-(2-oxopropyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-methylphenyl)sulfonyl-(2-oxopropyl)amino]acetate
PubChem CID42874720
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC Nameethyl 2-[(4-methylphenyl)sulfonyl-(2-oxopropyl)amino]acetate
SMILESCCOC(=O)CN(CC(C)=O)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H19NO5S/c1-4-20-14(17)10-15(9-12(3)16)21(18,19)13-7-5-11(2)6-8-13/h5-8H,4,9-10H2,1-3H3
InChIKeySUFMQYKLMCORBQ-UHFFFAOYSA-N
XLogP1.14
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[(4-methylphenyl)sulfonyl-(2-oxopropyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[benzenesulfonyl(2-oxopropyl)amino]acetate
CID 42807608
ethyl 2-[butyl-(4-methylphenyl)sulfonylamino]acetate
CID 131719040
ethyl 2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]acetate
CID 11587455
ethyl 2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]acetate
CID 10663093
ethyl 2-[cyclopropyl-(4-methylphenyl)sulfonylamino]acetate
CID 61384357
ethyl 2-[(4-bromophenyl)sulfonyl-propylamino]acetate
CID 60520900
4-methyl-N-(4-methylphenyl)sulfonyl-N-(2-oxopropyl)benzenesulfonamide
CID 102235339
ethyl 2-[(4-tert-butylphenyl)sulfonyl-propylamino]acetate
CID 55855485
ethyl 3-[[2-ethenylidenepentyl-(4-methylphenyl)sulfonylamino]methyl]-5-methylhexa-3,4-dienoate
CID 132938921
ethyl 2-[[4-(bromomethyl)phenyl]sulfonyl-propylamino]acetate
CID 65482015
ethyl 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)acetate
CID 50890829
ethyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate
CID 12963006

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-methylphenyl)sulfonyl-(2-oxopropyl)amino]acetate?
The IUPAC name of ethyl 2-[(4-methylphenyl)sulfonyl-(2-oxopropyl)amino]acetate (CID 42874720) is ethyl 2-[(4-methylphenyl)sulfonyl-(2-oxopropyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(4-methylphenyl)sulfonyl-(2-oxopropyl)amino]acetate?
The canonical SMILES for ethyl 2-[(4-methylphenyl)sulfonyl-(2-oxopropyl)amino]acetate is CCOC(=O)CN(CC(C)=O)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of ethyl 2-[(4-methylphenyl)sulfonyl-(2-oxopropyl)amino]acetate?
The InChIKey is SUFMQYKLMCORBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5S/c1-4-20-14(17)10-15(9-12(3)16)21(18,19)13-7-5-11(2)6-8-13/h5-8H,4,9-10H2,1-3H3.
What are the key properties of ethyl 2-[(4-methylphenyl)sulfonyl-(2-oxopropyl)amino]acetate?
ethyl 2-[(4-methylphenyl)sulfonyl-(2-oxopropyl)amino]acetate has a molecular weight of 313.38 g/mol, XLogP of 1.14, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-methylphenyl)sulfonyl-(2-oxopropyl)amino]acetate is sourced from PubChem (CID 42874720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).