methyl 1-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]-2,3-dihydroindole-5-carboxylate

C21H18N2O5S — CID 55514688

IUPACmethyl 1-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]-2,3-dihydroindole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCN2C(=O)c1sc(NC(=O)c2ccco2)cc1C
InChIInChI=1S/C21H18N2O5S/c1-12-10-17(22-19(24)16-4-3-9-28-16)29-18(12)20(25)23-8-7-13-11-14(21(26)27-2)5-6-15(13)23/h3-6,9-11H,7-8H2,1-2H3,(H,22,24)
InChIKeyUKRPSNQEKUMRAZ-UHFFFAOYSA-N
MW410.45 g/mol
LogP3.89
Rot. Bonds4

About methyl 1-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]-2,3-dihydroindole-5-carboxylate

methyl 1-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]-2,3-dihydroindole-5-carboxylate (PubChem CID 55514688) has the molecular formula C21H18N2O5S and a molecular weight of 410.45 g/mol. Its IUPAC name is methyl 1-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]-2,3-dihydroindole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]-2,3-dihydroindole-5-carboxylate
PubChem CID55514688
Molecular FormulaC21H18N2O5S
Molecular Weight410.45 g/mol
Exact Mass410.09
IUPAC Namemethyl 1-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]-2,3-dihydroindole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCN2C(=O)c1sc(NC(=O)c2ccco2)cc1C
InChIInChI=1S/C21H18N2O5S/c1-12-10-17(22-19(24)16-4-3-9-28-16)29-18(12)20(25)23-8-7-13-11-14(21(26)27-2)5-6-15(13)23/h3-6,9-11H,7-8H2,1-2H3,(H,22,24)
InChIKeyUKRPSNQEKUMRAZ-UHFFFAOYSA-N
XLogP3.89
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 25476963
methyl 2-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 52638589
methyl 1-benzoyl-2,3-dihydroindole-5-carboxylate
CID 10660450
N-[4-methyl-5-[[2-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 35915273
N-[5-[(5-carbamoyl-2-piperidin-1-ylphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 55554074
ethyl 1-(furan-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylate
CID 71919929
1-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 119354056
N-[5-(2-cyclopentylpyrrolidine-1-carbonyl)-4-methylthiophen-2-yl]furan-2-carboxamide
CID 71889888
N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]furan-2-carboxamide
CID 34818899
1-acetyl-N-[2-(furan-2-carbonylamino)ethyl]-2,3-dihydroindole-5-carboxamide
CID 43049282
N-[4-methyl-5-(2-piperazin-1-ylethylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 119446697
N-[4-methyl-5-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
CID 55552482

Frequently Asked Questions

What is the IUPAC name of methyl 1-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]-2,3-dihydroindole-5-carboxylate?
The IUPAC name of methyl 1-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]-2,3-dihydroindole-5-carboxylate (CID 55514688) is methyl 1-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]-2,3-dihydroindole-5-carboxylate.
What is the SMILES notation for methyl 1-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]-2,3-dihydroindole-5-carboxylate?
The canonical SMILES for methyl 1-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]-2,3-dihydroindole-5-carboxylate is COC(=O)c1ccc2c(c1)CCN2C(=O)c1sc(NC(=O)c2ccco2)cc1C.
What is the InChIKey of methyl 1-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]-2,3-dihydroindole-5-carboxylate?
The InChIKey is UKRPSNQEKUMRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O5S/c1-12-10-17(22-19(24)16-4-3-9-28-16)29-18(12)20(25)23-8-7-13-11-14(21(26)27-2)5-6-15(13)23/h3-6,9-11H,7-8H2,1-2H3,(H,22,24).
What are the key properties of methyl 1-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]-2,3-dihydroindole-5-carboxylate?
methyl 1-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]-2,3-dihydroindole-5-carboxylate has a molecular weight of 410.45 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]-2,3-dihydroindole-5-carboxylate is sourced from PubChem (CID 55514688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).