ethyl 5-(diethylcarbamoyl)-2-(methoxycarbonylamino)-4-methylthiophene-3-carboxylate

C15H22N2O5S — CID 874190

IUPACethyl 5-(diethylcarbamoyl)-2-(methoxycarbonylamino)-4-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)OC)sc(C(=O)N(CC)CC)c1C
InChIInChI=1S/C15H22N2O5S/c1-6-17(7-2)13(18)11-9(4)10(14(19)22-8-3)12(23-11)16-15(20)21-5/h6-8H2,1-5H3,(H,16,20)
InChIKeyCVYJCXFNMWXSFI-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.89
Rot. Bonds6

About ethyl 5-(diethylcarbamoyl)-2-(methoxycarbonylamino)-4-methylthiophene-3-carboxylate

ethyl 5-(diethylcarbamoyl)-2-(methoxycarbonylamino)-4-methylthiophene-3-carboxylate (PubChem CID 874190) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is ethyl 5-(diethylcarbamoyl)-2-(methoxycarbonylamino)-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(diethylcarbamoyl)-2-(methoxycarbonylamino)-4-methylthiophene-3-carboxylate
PubChem CID874190
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Nameethyl 5-(diethylcarbamoyl)-2-(methoxycarbonylamino)-4-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)OC)sc(C(=O)N(CC)CC)c1C
InChIInChI=1S/C15H22N2O5S/c1-6-17(7-2)13(18)11-9(4)10(14(19)22-8-3)12(23-11)16-15(20)21-5/h6-8H2,1-5H3,(H,16,20)
InChIKeyCVYJCXFNMWXSFI-UHFFFAOYSA-N
XLogP2.89
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 2-amino-5-carbamoyl-4-methylthiophene-3-carboxylate
CID 602880
Ethyl 4,5-dimethyl-2-[(piperidin-1-ylacetyl)amino]thiophene-3-carboxylate
CID 691671
6-tert-butyl 3-ethyl 2-amino-4H,5H,6H,7H-thieno(2,3-c)pyridine-3,6-dicarboxylate
CID 2794740
N-propyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 68909935
Diethyl 5-acetamido-3-methylthiophene-2,4-dicarboxylate
CID 291812
Ethyl 2-[(aminocarbonyl)amino]-4,5-dimethyl-3-thiophenecarboxylate
CID 671916
Ethyl 5-carbamoyl-4-methyl-2-(perfluorobenzamido)thiophene-3-carboxylate
CID 2164122
Thieno(2,3-c)pyridine-3-carboxylic acid, 4,5,6,7-tetrahydro-6-acetyl-6-amino-, ethyl ester
CID 212358
Ethyl 5-amino-4-carbamoyl-3-methylthiophene-2-carboxylate
CID 611221
Ethyl 2-amino-6-methyl-4,5,6,7-tetrahydrothieno(2,3-c)pyridine-3-carboxylate
CID 207319
2-Ethyl 4-methyl 5-[(methoxycarbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate
CID 1246494
2-Acetylamino-4-methyl-5-(morpholine-4-carbonyl)-thiophene-3-carboxylic acid methyl ester
CID 829075

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(diethylcarbamoyl)-2-(methoxycarbonylamino)-4-methylthiophene-3-carboxylate?
The IUPAC name of ethyl 5-(diethylcarbamoyl)-2-(methoxycarbonylamino)-4-methylthiophene-3-carboxylate (CID 874190) is ethyl 5-(diethylcarbamoyl)-2-(methoxycarbonylamino)-4-methylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-(diethylcarbamoyl)-2-(methoxycarbonylamino)-4-methylthiophene-3-carboxylate?
The canonical SMILES for ethyl 5-(diethylcarbamoyl)-2-(methoxycarbonylamino)-4-methylthiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)OC)sc(C(=O)N(CC)CC)c1C.
What is the InChIKey of ethyl 5-(diethylcarbamoyl)-2-(methoxycarbonylamino)-4-methylthiophene-3-carboxylate?
The InChIKey is CVYJCXFNMWXSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-6-17(7-2)13(18)11-9(4)10(14(19)22-8-3)12(23-11)16-15(20)21-5/h6-8H2,1-5H3,(H,16,20).
What are the key properties of ethyl 5-(diethylcarbamoyl)-2-(methoxycarbonylamino)-4-methylthiophene-3-carboxylate?
ethyl 5-(diethylcarbamoyl)-2-(methoxycarbonylamino)-4-methylthiophene-3-carboxylate has a molecular weight of 342.42 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(diethylcarbamoyl)-2-(methoxycarbonylamino)-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 874190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).