ethyl 5-methyl-2-(2-propan-2-yloxyethylsulfonylamino)thiophene-3-carboxylate

C13H21NO5S2 — CID 79592877

IUPACethyl 5-methyl-2-(2-propan-2-yloxyethylsulfonylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C)sc1NS(=O)(=O)CCOC(C)C
InChIInChI=1S/C13H21NO5S2/c1-5-18-13(15)11-8-10(4)20-12(11)14-21(16,17)7-6-19-9(2)3/h8-9,14H,5-7H2,1-4H3
InChIKeyJANHVOCUMMHQLV-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.40
Rot. Bonds8

About ethyl 5-methyl-2-(2-propan-2-yloxyethylsulfonylamino)thiophene-3-carboxylate

ethyl 5-methyl-2-(2-propan-2-yloxyethylsulfonylamino)thiophene-3-carboxylate (PubChem CID 79592877) has the molecular formula C13H21NO5S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is ethyl 5-methyl-2-(2-propan-2-yloxyethylsulfonylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-(2-propan-2-yloxyethylsulfonylamino)thiophene-3-carboxylate
PubChem CID79592877
Molecular FormulaC13H21NO5S2
Molecular Weight335.45 g/mol
Exact Mass335.09
IUPAC Nameethyl 5-methyl-2-(2-propan-2-yloxyethylsulfonylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C)sc1NS(=O)(=O)CCOC(C)C
InChIInChI=1S/C13H21NO5S2/c1-5-18-13(15)11-8-10(4)20-12(11)14-21(16,17)7-6-19-9(2)3/h8-9,14H,5-7H2,1-4H3
InChIKeyJANHVOCUMMHQLV-UHFFFAOYSA-N
XLogP2.40
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[(3-methoxy-3-oxopropyl)sulfonylamino]-5-methylthiophene-3-carboxylate
CID 63617191
4-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)sulfamoyl]butanoic acid
CID 63618726
ethyl 2-[(3-chloro-2-methylpropyl)sulfonylamino]-5-methylthiophene-3-carboxylate
CID 79585352
ethyl 2-(ethoxycarbonylsulfamoylamino)-5-methylthiophene-3-carboxylate
CID 114465520
ethyl 2-(3-chloropropylsulfonylamino)-5-ethylthiophene-3-carboxylate
CID 43654266
ethyl 2-[(2-amino-2-methylpropanoyl)amino]-5-methylthiophene-3-carboxylate
CID 63618036
3-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]-2-methylpropanoic acid
CID 82310398
ethyl 2-[(3-bromothiophen-2-yl)sulfonylamino]-5-methylthiophene-3-carboxylate
CID 63617527
ethyl 2-[(2-aminoacetyl)amino]-5-methylthiophene-3-carboxylate
CID 63619076
ethyl 2-[(2,4-diamino-4-oxobutanoyl)amino]-5-methylthiophene-3-carboxylate
CID 63616688
3-methyl-5-(2-propan-2-yloxyethylsulfonylamino)thiophene-2-carboxylic acid
CID 79594958
ethyl 5-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]thiophene-3-carboxylate
CID 104710371

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-(2-propan-2-yloxyethylsulfonylamino)thiophene-3-carboxylate?
The IUPAC name of ethyl 5-methyl-2-(2-propan-2-yloxyethylsulfonylamino)thiophene-3-carboxylate (CID 79592877) is ethyl 5-methyl-2-(2-propan-2-yloxyethylsulfonylamino)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-(2-propan-2-yloxyethylsulfonylamino)thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-(2-propan-2-yloxyethylsulfonylamino)thiophene-3-carboxylate is CCOC(=O)c1cc(C)sc1NS(=O)(=O)CCOC(C)C.
What is the InChIKey of ethyl 5-methyl-2-(2-propan-2-yloxyethylsulfonylamino)thiophene-3-carboxylate?
The InChIKey is JANHVOCUMMHQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5S2/c1-5-18-13(15)11-8-10(4)20-12(11)14-21(16,17)7-6-19-9(2)3/h8-9,14H,5-7H2,1-4H3.
What are the key properties of ethyl 5-methyl-2-(2-propan-2-yloxyethylsulfonylamino)thiophene-3-carboxylate?
ethyl 5-methyl-2-(2-propan-2-yloxyethylsulfonylamino)thiophene-3-carboxylate has a molecular weight of 335.45 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-(2-propan-2-yloxyethylsulfonylamino)thiophene-3-carboxylate is sourced from PubChem (CID 79592877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).