ethyl 5-(ethylsulfonylamino)-3-methylthiophene-2-carboxylate

C10H15NO4S2 — CID 43406404

IUPACethyl 5-(ethylsulfonylamino)-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NS(=O)(=O)CC)cc1C
InChIInChI=1S/C10H15NO4S2/c1-4-15-10(12)9-7(3)6-8(16-9)11-17(13,14)5-2/h6,11H,4-5H2,1-3H3
InChIKeyHRYZGHCQHKJWOH-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.99
Rot. Bonds5

About ethyl 5-(ethylsulfonylamino)-3-methylthiophene-2-carboxylate

ethyl 5-(ethylsulfonylamino)-3-methylthiophene-2-carboxylate (PubChem CID 43406404) has the molecular formula C10H15NO4S2 and a molecular weight of 277.37 g/mol. Its IUPAC name is ethyl 5-(ethylsulfonylamino)-3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(ethylsulfonylamino)-3-methylthiophene-2-carboxylate
PubChem CID43406404
Molecular FormulaC10H15NO4S2
Molecular Weight277.37 g/mol
Exact Mass277.04
IUPAC Nameethyl 5-(ethylsulfonylamino)-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NS(=O)(=O)CC)cc1C
InChIInChI=1S/C10H15NO4S2/c1-4-15-10(12)9-7(3)6-8(16-9)11-17(13,14)5-2/h6,11H,4-5H2,1-3H3
InChIKeyHRYZGHCQHKJWOH-UHFFFAOYSA-N
XLogP1.99
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 5-(ethylsulfonylamino)-3-methylthiophene-2-carboxylate 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 5-(butylsulfonylamino)-3-methylthiophene-2-carboxylate
CID 43406406
ethyl 5-[(3-methoxy-3-oxopropyl)sulfonylamino]-3-methylthiophene-2-carboxylate
CID 60675302
ethyl 5-(3-methoxypropylsulfonylamino)-3-methylthiophene-2-carboxylate
CID 63287775
ethyl 5-(ethylsulfamoylamino)-3-methylthiophene-2-carboxylate
CID 114811414
ethyl 5-[(2,6-difluorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylate
CID 8515185
ethyl 5-(methoxycarbonylamino)-3-methylthiophene-2-carboxylate
CID 43623989
ethyl 5-[[2-[2-[(5-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-2-oxoethoxy]acetyl]amino]-3-methylthiophene-2-carboxylate
CID 16832326
ethyl 5-[(2-ethoxyacetyl)amino]-3-methylthiophene-2-carboxylate
CID 43422858
ethyl 5-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate
CID 8515211
ethyl 3-methyl-5-(3,3,3-trifluoropropanoylamino)thiophene-2-carboxylate
CID 43423510
ethyl 3-methyl-5-(propan-2-ylcarbamothioylamino)thiophene-2-carboxylate
CID 8000608
ethyl 5-(hexanoylamino)-3-methylthiophene-2-carboxylate
CID 43403931

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(ethylsulfonylamino)-3-methylthiophene-2-carboxylate?
The IUPAC name of ethyl 5-(ethylsulfonylamino)-3-methylthiophene-2-carboxylate (CID 43406404) is ethyl 5-(ethylsulfonylamino)-3-methylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-(ethylsulfonylamino)-3-methylthiophene-2-carboxylate?
The canonical SMILES for ethyl 5-(ethylsulfonylamino)-3-methylthiophene-2-carboxylate is CCOC(=O)c1sc(NS(=O)(=O)CC)cc1C.
What is the InChIKey of ethyl 5-(ethylsulfonylamino)-3-methylthiophene-2-carboxylate?
The InChIKey is HRYZGHCQHKJWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S2/c1-4-15-10(12)9-7(3)6-8(16-9)11-17(13,14)5-2/h6,11H,4-5H2,1-3H3.
What are the key properties of ethyl 5-(ethylsulfonylamino)-3-methylthiophene-2-carboxylate?
ethyl 5-(ethylsulfonylamino)-3-methylthiophene-2-carboxylate has a molecular weight of 277.37 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(ethylsulfonylamino)-3-methylthiophene-2-carboxylate is sourced from PubChem (CID 43406404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).