ethyl 2-[4-(ethylsulfamoyl)anilino]propanoate

C13H20N2O4S — CID 61499285

IUPACethyl 2-[4-(ethylsulfamoyl)anilino]propanoate
SMILESCCNS(=O)(=O)c1ccc(NC(C)C(=O)OCC)cc1
InChIInChI=1S/C13H20N2O4S/c1-4-14-20(17,18)12-8-6-11(7-9-12)15-10(3)13(16)19-5-2/h6-10,14-15H,4-5H2,1-3H3
InChIKeyRMAAVVKJXOKHOG-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.35
Rot. Bonds7

About ethyl 2-[4-(ethylsulfamoyl)anilino]propanoate

ethyl 2-[4-(ethylsulfamoyl)anilino]propanoate (PubChem CID 61499285) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is ethyl 2-[4-(ethylsulfamoyl)anilino]propanoate.

Molecular Properties

Compound Nameethyl 2-[4-(ethylsulfamoyl)anilino]propanoate
PubChem CID61499285
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Nameethyl 2-[4-(ethylsulfamoyl)anilino]propanoate
SMILESCCNS(=O)(=O)c1ccc(NC(C)C(=O)OCC)cc1
InChIInChI=1S/C13H20N2O4S/c1-4-14-20(17,18)12-8-6-11(7-9-12)15-10(3)13(16)19-5-2/h6-10,14-15H,4-5H2,1-3H3
InChIKeyRMAAVVKJXOKHOG-UHFFFAOYSA-N
XLogP1.35
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[4-(trifluoromethylsulfonyl)anilino]propanoate
CID 61498768
N-ethyl-4-(pentan-2-ylamino)benzenesulfonamide
CID 43383375
ethyl 2-(4-acetylanilino)propanoate
CID 62004850
2-amino-N-[4-(ethylsulfamoyl)phenyl]-3-methylpentanamide
CID 43711022
ethyl 2-(3-amino-4-sulfamoylanilino)propanoate
CID 79466894
(2S)-2-amino-N-[4-(ethylsulfamoyl)phenyl]-3-methylpentanamide
CID 61172487
N-ethyl-4-(1-methylsulfonylpropan-2-ylamino)benzenesulfonamide
CID 64629339
ethyl (2R)-2-[4-(3-methylbutanoylamino)anilino]propanoate
CID 95628149
N-[4-(ethylsulfamoyl)phenyl]butanamide
CID 2992581
3-[4-(ethylsulfamoyl)anilino]-2-methylpropanoic acid
CID 62676272
2-(butan-2-ylamino)-N-[4-(ethylsulfamoyl)phenyl]acetamide
CID 60852490
2-(aminomethyl)-N-[4-(ethylsulfamoyl)phenyl]-3-methylbutanamide
CID 65225218

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(ethylsulfamoyl)anilino]propanoate?
The IUPAC name of ethyl 2-[4-(ethylsulfamoyl)anilino]propanoate (CID 61499285) is ethyl 2-[4-(ethylsulfamoyl)anilino]propanoate.
What is the SMILES notation for ethyl 2-[4-(ethylsulfamoyl)anilino]propanoate?
The canonical SMILES for ethyl 2-[4-(ethylsulfamoyl)anilino]propanoate is CCNS(=O)(=O)c1ccc(NC(C)C(=O)OCC)cc1.
What is the InChIKey of ethyl 2-[4-(ethylsulfamoyl)anilino]propanoate?
The InChIKey is RMAAVVKJXOKHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-4-14-20(17,18)12-8-6-11(7-9-12)15-10(3)13(16)19-5-2/h6-10,14-15H,4-5H2,1-3H3.
What are the key properties of ethyl 2-[4-(ethylsulfamoyl)anilino]propanoate?
ethyl 2-[4-(ethylsulfamoyl)anilino]propanoate has a molecular weight of 300.38 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(ethylsulfamoyl)anilino]propanoate is sourced from PubChem (CID 61499285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).