methyl 3-[(4-ethoxyphenyl)sulfonyl-ethylamino]propanoate

C14H21NO5S — CID 61011338

IUPACmethyl 3-[(4-ethoxyphenyl)sulfonyl-ethylamino]propanoate
SMILESCCOc1ccc(S(=O)(=O)N(CC)CCC(=O)OC)cc1
InChIInChI=1S/C14H21NO5S/c1-4-15(11-10-14(16)19-3)21(17,18)13-8-6-12(7-9-13)20-5-2/h6-9H,4-5,10-11H2,1-3H3
InChIKeyOWMHFNFBJQYZSV-UHFFFAOYSA-N
MW315.39 g/mol
LogP1.66
Rot. Bonds8

About methyl 3-[(4-ethoxyphenyl)sulfonyl-ethylamino]propanoate

methyl 3-[(4-ethoxyphenyl)sulfonyl-ethylamino]propanoate (PubChem CID 61011338) has the molecular formula C14H21NO5S and a molecular weight of 315.39 g/mol. Its IUPAC name is methyl 3-[(4-ethoxyphenyl)sulfonyl-ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(4-ethoxyphenyl)sulfonyl-ethylamino]propanoate
PubChem CID61011338
Molecular FormulaC14H21NO5S
Molecular Weight315.39 g/mol
Exact Mass315.11
IUPAC Namemethyl 3-[(4-ethoxyphenyl)sulfonyl-ethylamino]propanoate
SMILESCCOc1ccc(S(=O)(=O)N(CC)CCC(=O)OC)cc1
InChIInChI=1S/C14H21NO5S/c1-4-15(11-10-14(16)19-3)21(17,18)13-8-6-12(7-9-13)20-5-2/h6-9H,4-5,10-11H2,1-3H3
InChIKeyOWMHFNFBJQYZSV-UHFFFAOYSA-N
XLogP1.66
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-[(4-ethoxyphenyl)sulfonyl-ethylamino]propanoate 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

methyl 3-[ethyl-(4-propylphenyl)sulfonylamino]propanoate
CID 61009529
methyl 4-[(4-ethoxyphenyl)sulfonyl-methylamino]butanoate
CID 60715335
methyl 3-[ethyl(pyridin-3-ylsulfonyl)amino]propanoate
CID 54899558
methyl 3-[ethyl-(3-nitrophenyl)sulfonylamino]propanoate
CID 61010794
2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(2-methoxyethyl)acetamide
CID 19798440
methyl 3-[benzyl-(4-methoxyphenyl)sulfonylamino]propanoate
CID 22907062
methyl 3-(4-ethoxy-N-methylanilino)propanoate
CID 115232288
3-[(4-ethoxyphenyl)sulfonyl-propan-2-ylamino]propanoic acid
CID 60829835
N-(4-acetamidophenyl)-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
CID 7937656
N-(cyanomethyl)-4-ethoxy-N-ethylbenzenesulfonamide
CID 94695842
N-cyclopentyl-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
CID 45373156
methyl 3-[ethyl-(2-fluorophenyl)sulfonylamino]propanoate
CID 51891975

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-ethoxyphenyl)sulfonyl-ethylamino]propanoate?
The IUPAC name of methyl 3-[(4-ethoxyphenyl)sulfonyl-ethylamino]propanoate (CID 61011338) is methyl 3-[(4-ethoxyphenyl)sulfonyl-ethylamino]propanoate.
What is the SMILES notation for methyl 3-[(4-ethoxyphenyl)sulfonyl-ethylamino]propanoate?
The canonical SMILES for methyl 3-[(4-ethoxyphenyl)sulfonyl-ethylamino]propanoate is CCOc1ccc(S(=O)(=O)N(CC)CCC(=O)OC)cc1.
What is the InChIKey of methyl 3-[(4-ethoxyphenyl)sulfonyl-ethylamino]propanoate?
The InChIKey is OWMHFNFBJQYZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5S/c1-4-15(11-10-14(16)19-3)21(17,18)13-8-6-12(7-9-13)20-5-2/h6-9H,4-5,10-11H2,1-3H3.
What are the key properties of methyl 3-[(4-ethoxyphenyl)sulfonyl-ethylamino]propanoate?
methyl 3-[(4-ethoxyphenyl)sulfonyl-ethylamino]propanoate has a molecular weight of 315.39 g/mol, XLogP of 1.66, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-ethoxyphenyl)sulfonyl-ethylamino]propanoate is sourced from PubChem (CID 61011338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).