ethyl 2-[ethyl-[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate

C21H20N2O5S — CID 86973700

IUPACethyl 2-[ethyl-[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1N(CC)C(=O)c1ccc(NC(=O)c2ccco2)s1
InChIInChI=1S/C21H20N2O5S/c1-3-23(15-9-6-5-8-14(15)21(26)27-4-2)20(25)17-11-12-18(29-17)22-19(24)16-10-7-13-28-16/h5-13H,3-4H2,1-2H3,(H,22,24)
InChIKeyWAZPVTGGOLVRLR-UHFFFAOYSA-N
MW412.47 g/mol
LogP4.44
Rot. Bonds7

About ethyl 2-[ethyl-[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate

ethyl 2-[ethyl-[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate (PubChem CID 86973700) has the molecular formula C21H20N2O5S and a molecular weight of 412.47 g/mol. Its IUPAC name is ethyl 2-[ethyl-[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[ethyl-[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate
PubChem CID86973700
Molecular FormulaC21H20N2O5S
Molecular Weight412.47 g/mol
Exact Mass412.11
IUPAC Nameethyl 2-[ethyl-[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1N(CC)C(=O)c1ccc(NC(=O)c2ccco2)s1
InChIInChI=1S/C21H20N2O5S/c1-3-23(15-9-6-5-8-14(15)21(26)27-4-2)20(25)17-11-12-18(29-17)22-19(24)16-10-7-13-28-16/h5-13H,3-4H2,1-2H3,(H,22,24)
InChIKeyWAZPVTGGOLVRLR-UHFFFAOYSA-N
XLogP4.44
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(2,5-dimethylphenyl)-ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 55591959
ethyl 2-[benzyl-[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 55510366
N-[5-[ethyl(thiophen-2-ylmethyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 33032895
methyl 2-[[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate
CID 134024119
N-[5-[methyl-[(2-methylphenyl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 51331595
ethyl 2-[(2,5-dimethylthiophene-3-carbonyl)-ethylamino]benzoate
CID 86973380
N-[5-[methyl-[(1S)-1-phenylethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 32909045
[2-(2-methylpropylamino)-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
CID 18149801
2-(4-methylphenoxy)ethyl 5-(furan-2-carbonylamino)thiophene-2-carboxylate
CID 46512241
ethyl 5-(diethylcarbamoyl)-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate
CID 1221585
N-[5-[2-(N-ethyl-3-methylanilino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 55516916
N-[5-(3-methoxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 51330650

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl-[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate?
The IUPAC name of ethyl 2-[ethyl-[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate (CID 86973700) is ethyl 2-[ethyl-[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[ethyl-[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 2-[ethyl-[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate is CCOC(=O)c1ccccc1N(CC)C(=O)c1ccc(NC(=O)c2ccco2)s1.
What is the InChIKey of ethyl 2-[ethyl-[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate?
The InChIKey is WAZPVTGGOLVRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5S/c1-3-23(15-9-6-5-8-14(15)21(26)27-4-2)20(25)17-11-12-18(29-17)22-19(24)16-10-7-13-28-16/h5-13H,3-4H2,1-2H3,(H,22,24).
What are the key properties of ethyl 2-[ethyl-[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate?
ethyl 2-[ethyl-[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate has a molecular weight of 412.47 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethyl-[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate is sourced from PubChem (CID 86973700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).