ethyl 5-(diethylcarbamoyl)-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate

C18H22N2O5S — CID 1221585

IUPACethyl 5-(diethylcarbamoyl)-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2ccco2)sc(C(=O)N(CC)CC)c1C
InChIInChI=1S/C18H22N2O5S/c1-5-20(6-2)17(22)14-11(4)13(18(23)24-7-3)16(26-14)19-15(21)12-9-8-10-25-12/h8-10H,5-7H2,1-4H3,(H,19,21)
InChIKeyKMFSIPMVMZIDPW-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.56
Rot. Bonds7

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

ethyl 5-(diethylcarbamoyl)-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate (PubChem CID 1221585) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is ethyl 5-(diethylcarbamoyl)-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(diethylcarbamoyl)-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate
PubChem CID1221585
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Nameethyl 5-(diethylcarbamoyl)-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2ccco2)sc(C(=O)N(CC)CC)c1C
InChIInChI=1S/C18H22N2O5S/c1-5-20(6-2)17(22)14-11(4)13(18(23)24-7-3)16(26-14)19-15(21)12-9-8-10-25-12/h8-10H,5-7H2,1-4H3,(H,19,21)
InChIKeyKMFSIPMVMZIDPW-UHFFFAOYSA-N
XLogP3.56
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

dimethyl 5-(furan-2-carbonylamino)-3-methylthiophene-2,4-dicarboxylate
CID 843075
ethyl 5-(diethylcarbamoyl)-2-[[6-[[5-(diethylcarbamoyl)-3-ethoxycarbonyl-4-methylthiophen-2-yl]carbamoyl]pyridine-2-carbonyl]amino]-4-methylthiophene-3-carboxylate
CID 4224886
ethyl 2-(furan-2-carbonylamino)-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 3117483
ethyl 5-(diethylcarbamoyl)-2-[(4-fluorobenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 1222296
ethyl 2-(furan-2-carbonylamino)-4-methyl-5-[2-(4-methylpiperazin-1-yl)acetyl]thiophene-3-carboxylate
CID 170861139
ethyl 2-[(2-chloro-6-fluorobenzoyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 28693708
methyl 5-[(4-ethoxyphenyl)carbamoyl]-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate
CID 1131605
methyl 2-benzamido-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 1131031
methyl 2-(furan-2-carbonylamino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
CID 1130436
ethyl 5-(diethylcarbamoyl)-4-methyl-2-[(3-propyl-1-benzothiophene-2-carbonyl)amino]thiophene-3-carboxylate
CID 110503367
methyl 2-(furan-2-carbonylamino)-4-methyl-5-[(4-methylphenyl)carbamoyl]thiophene-3-carboxylate
CID 1131163
ethyl 2-(3-chloropropanoylamino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 3416227

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(diethylcarbamoyl)-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate?
The IUPAC name of ethyl 5-(diethylcarbamoyl)-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate (CID 1221585) is ethyl 5-(diethylcarbamoyl)-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-(diethylcarbamoyl)-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate?
The canonical SMILES for ethyl 5-(diethylcarbamoyl)-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)c2ccco2)sc(C(=O)N(CC)CC)c1C.
What is the InChIKey of ethyl 5-(diethylcarbamoyl)-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate?
The InChIKey is KMFSIPMVMZIDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-5-20(6-2)17(22)14-11(4)13(18(23)24-7-3)16(26-14)19-15(21)12-9-8-10-25-12/h8-10H,5-7H2,1-4H3,(H,19,21).
What are the key properties of ethyl 5-(diethylcarbamoyl)-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate?
ethyl 5-(diethylcarbamoyl)-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate has a molecular weight of 378.45 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(diethylcarbamoyl)-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 1221585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).