N-[1-(furan-2-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]-N-pyridin-3-ylthiophene-2-carboxamide

C21H17N3O4S — CID 43817545

IUPACN-[1-(furan-2-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]-N-pyridin-3-ylthiophene-2-carboxamide
SMILESO=C(NCc1ccco1)C(c1ccco1)N(C(=O)c1cccs1)c1cccnc1
InChIInChI=1S/C21H17N3O4S/c25-20(23-14-16-6-2-10-27-16)19(17-7-3-11-28-17)24(15-5-1-9-22-13-15)21(26)18-8-4-12-29-18/h1-13,19H,14H2,(H,23,25)
InChIKeyPIGPUBWTFIIVMC-UHFFFAOYSA-N
MW407.45 g/mol
LogP4.03
Rot. Bonds7

About N-[1-(furan-2-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]-N-pyridin-3-ylthiophene-2-carboxamide

N-[1-(furan-2-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]-N-pyridin-3-ylthiophene-2-carboxamide (PubChem CID 43817545) has the molecular formula C21H17N3O4S and a molecular weight of 407.45 g/mol. Its IUPAC name is N-[1-(furan-2-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]-N-pyridin-3-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]-N-pyridin-3-ylthiophene-2-carboxamide
PubChem CID43817545
Molecular FormulaC21H17N3O4S
Molecular Weight407.45 g/mol
Exact Mass407.09
IUPAC NameN-[1-(furan-2-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]-N-pyridin-3-ylthiophene-2-carboxamide
SMILESO=C(NCc1ccco1)C(c1ccco1)N(C(=O)c1cccs1)c1cccnc1
InChIInChI=1S/C21H17N3O4S/c25-20(23-14-16-6-2-10-27-16)19(17-7-3-11-28-17)24(15-5-1-9-22-13-15)21(26)18-8-4-12-29-18/h1-13,19H,14H2,(H,23,25)
InChIKeyPIGPUBWTFIIVMC-UHFFFAOYSA-N
XLogP4.03
TPSA88.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]-N-pyridin-3-ylthiophene-2-carboxamide?
The IUPAC name of N-[1-(furan-2-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]-N-pyridin-3-ylthiophene-2-carboxamide (CID 43817545) is N-[1-(furan-2-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]-N-pyridin-3-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-(furan-2-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]-N-pyridin-3-ylthiophene-2-carboxamide?
The canonical SMILES for N-[1-(furan-2-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]-N-pyridin-3-ylthiophene-2-carboxamide is O=C(NCc1ccco1)C(c1ccco1)N(C(=O)c1cccs1)c1cccnc1.
What is the InChIKey of N-[1-(furan-2-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]-N-pyridin-3-ylthiophene-2-carboxamide?
The InChIKey is PIGPUBWTFIIVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4S/c25-20(23-14-16-6-2-10-27-16)19(17-7-3-11-28-17)24(15-5-1-9-22-13-15)21(26)18-8-4-12-29-18/h1-13,19H,14H2,(H,23,25).
What are the key properties of N-[1-(furan-2-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]-N-pyridin-3-ylthiophene-2-carboxamide?
N-[1-(furan-2-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]-N-pyridin-3-ylthiophene-2-carboxamide has a molecular weight of 407.45 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]-N-pyridin-3-ylthiophene-2-carboxamide is sourced from PubChem (CID 43817545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).