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

C12H19NO5S2 — CID 63287775

IUPACethyl 5-(3-methoxypropylsulfonylamino)-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NS(=O)(=O)CCCOC)cc1C
InChIInChI=1S/C12H19NO5S2/c1-4-18-12(14)11-9(2)8-10(19-11)13-20(15,16)7-5-6-17-3/h8,13H,4-7H2,1-3H3
InChIKeyLAKZEHZOPCZFOR-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.01
Rot. Bonds8

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

ethyl 5-(3-methoxypropylsulfonylamino)-3-methylthiophene-2-carboxylate (PubChem CID 63287775) has the molecular formula C12H19NO5S2 and a molecular weight of 321.42 g/mol. Its IUPAC name is ethyl 5-(3-methoxypropylsulfonylamino)-3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(3-methoxypropylsulfonylamino)-3-methylthiophene-2-carboxylate
PubChem CID63287775
Molecular FormulaC12H19NO5S2
Molecular Weight321.42 g/mol
Exact Mass321.07
IUPAC Nameethyl 5-(3-methoxypropylsulfonylamino)-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NS(=O)(=O)CCCOC)cc1C
InChIInChI=1S/C12H19NO5S2/c1-4-18-12(14)11-9(2)8-10(19-11)13-20(15,16)7-5-6-17-3/h8,13H,4-7H2,1-3H3
InChIKeyLAKZEHZOPCZFOR-UHFFFAOYSA-N
XLogP2.01
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 5-(butylsulfonylamino)-3-methylthiophene-2-carboxylate
CID 43406406
ethyl 5-(ethylsulfonylamino)-3-methylthiophene-2-carboxylate
CID 43406404
ethyl 5-[(3-methoxy-3-oxopropyl)sulfonylamino]-3-methylthiophene-2-carboxylate
CID 60675302
ethyl 5-(ethylsulfamoylamino)-3-methylthiophene-2-carboxylate
CID 114811414
ethyl 2-(3-methoxypropylsulfonylamino)-4,5-dimethylthiophene-3-carboxylate
CID 63287811
ethyl 5-(methoxycarbonylamino)-3-methylthiophene-2-carboxylate
CID 43623989
ethyl 5-[(2,6-difluorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylate
CID 8515185
5-(2-methoxyethylsulfamoylamino)-3-methylthiophene-2-carboxylic acid
CID 114814326
3-methyl-5-(2-propan-2-yloxyethylsulfonylamino)thiophene-2-carboxylic acid
CID 79594958
ethyl 5-[[2-[2-[(5-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-2-oxoethoxy]acetyl]amino]-3-methylthiophene-2-carboxylate
CID 16832326
ethyl 5-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate
CID 8515211
ethyl 5-[4-(4-methoxyphenyl)sulfonylbutanoylamino]-3-methylthiophene-2-carboxylate
CID 41273808

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3-methoxypropylsulfonylamino)-3-methylthiophene-2-carboxylate?
The IUPAC name of ethyl 5-(3-methoxypropylsulfonylamino)-3-methylthiophene-2-carboxylate (CID 63287775) is ethyl 5-(3-methoxypropylsulfonylamino)-3-methylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-(3-methoxypropylsulfonylamino)-3-methylthiophene-2-carboxylate?
The canonical SMILES for ethyl 5-(3-methoxypropylsulfonylamino)-3-methylthiophene-2-carboxylate is CCOC(=O)c1sc(NS(=O)(=O)CCCOC)cc1C.
What is the InChIKey of ethyl 5-(3-methoxypropylsulfonylamino)-3-methylthiophene-2-carboxylate?
The InChIKey is LAKZEHZOPCZFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5S2/c1-4-18-12(14)11-9(2)8-10(19-11)13-20(15,16)7-5-6-17-3/h8,13H,4-7H2,1-3H3.
What are the key properties of ethyl 5-(3-methoxypropylsulfonylamino)-3-methylthiophene-2-carboxylate?
ethyl 5-(3-methoxypropylsulfonylamino)-3-methylthiophene-2-carboxylate has a molecular weight of 321.42 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3-methoxypropylsulfonylamino)-3-methylthiophene-2-carboxylate is sourced from PubChem (CID 63287775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).