N-(furan-2-ylmethyl)-N-(thiophen-3-ylmethyl)-1H-pyrrole-2-carboxamide

C15H14N2O2S — CID 46985690

IUPACN-(furan-2-ylmethyl)-N-(thiophen-3-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(c1ccc[nH]1)N(Cc1ccsc1)Cc1ccco1
InChIInChI=1S/C15H14N2O2S/c18-15(14-4-1-6-16-14)17(9-12-5-8-20-11-12)10-13-3-2-7-19-13/h1-8,11,16H,9-10H2
InChIKeyXWMSIUZRPILDPJ-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.51
Rot. Bonds5

About N-(furan-2-ylmethyl)-N-(thiophen-3-ylmethyl)-1H-pyrrole-2-carboxamide

N-(furan-2-ylmethyl)-N-(thiophen-3-ylmethyl)-1H-pyrrole-2-carboxamide (PubChem CID 46985690) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(thiophen-3-ylmethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-(thiophen-3-ylmethyl)-1H-pyrrole-2-carboxamide
PubChem CID46985690
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC NameN-(furan-2-ylmethyl)-N-(thiophen-3-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(c1ccc[nH]1)N(Cc1ccsc1)Cc1ccco1
InChIInChI=1S/C15H14N2O2S/c18-15(14-4-1-6-16-14)17(9-12-5-8-20-11-12)10-13-3-2-7-19-13/h1-8,11,16H,9-10H2
InChIKeyXWMSIUZRPILDPJ-UHFFFAOYSA-N
XLogP3.51
TPSA49.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Thiophene-2-carboxylic acid {[(cyclopentylcarbamoyl-pyridin-3-yl-methyl)-furan-2-ylmethyl-carbamoyl]-methyl}-amide
CID 650746
4-Benzyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid (furan-2-ylmethyl)-amide
CID 651472
Thiophene-2-carboxylic acid {[(cyclopentylcarbamoyl-pyridin-4-yl-methyl)-furan-2-ylmethyl-carbamoyl]-methyl}-amide
CID 3211119
fur-2-oyl-Gly-DL-N(pyrid-3-yl)Gly(thien-2-yl)-NHcPent
CID 3211413
Furan-2-carboxylic acid {[(cyclopentylcarbamoyl-pyridin-3-yl-methyl)-thiophen-2-ylmethyl-carbamoyl]-methyl}-amide
CID 3211640
Furan-2-carboxylic acid {[(cyclohexylcarbamoyl-pyridin-4-yl-methyl)-thiophen-2-ylmethyl-carbamoyl]-methyl}-amide
CID 3211832
Furan-2-carboxylic acid {[(cyclohexylcarbamoyl-pyridin-3-yl-methyl)-thiophen-2-ylmethyl-carbamoyl]-methyl}-amide
CID 3211853
N-(furan-2-ylmethyl)-2-phenyl-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3216731
N-{2-[2-(pyridin-3-yl)-1,3-thiazol-4-yl]ethyl}furan-2-carboxamide
CID 5310118
2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-N-(furan-2-ylmethyl)-2-pyridin-4-ylacetamide
CID 3216722
N-(furan-2-ylmethyl)-2-(3-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide
CID 3216724
2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3216728

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-(thiophen-3-ylmethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-(thiophen-3-ylmethyl)-1H-pyrrole-2-carboxamide (CID 46985690) is N-(furan-2-ylmethyl)-N-(thiophen-3-ylmethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-(thiophen-3-ylmethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-(thiophen-3-ylmethyl)-1H-pyrrole-2-carboxamide is O=C(c1ccc[nH]1)N(Cc1ccsc1)Cc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-(thiophen-3-ylmethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is XWMSIUZRPILDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c18-15(14-4-1-6-16-14)17(9-12-5-8-20-11-12)10-13-3-2-7-19-13/h1-8,11,16H,9-10H2.
What are the key properties of N-(furan-2-ylmethyl)-N-(thiophen-3-ylmethyl)-1H-pyrrole-2-carboxamide?
N-(furan-2-ylmethyl)-N-(thiophen-3-ylmethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 286.36 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-(thiophen-3-ylmethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 46985690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).