N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-2-methylfuran-3-carboxamide

C14H17NO3S — CID 56746305

IUPACN-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NCC(CO)Cc1cccs1
InChIInChI=1S/C14H17NO3S/c1-10-13(4-5-18-10)14(17)15-8-11(9-16)7-12-3-2-6-19-12/h2-6,11,16H,7-9H2,1H3,(H,15,17)
InChIKeyIEWDHPZHRNVWRU-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.23
Rot. Bonds6

About N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-2-methylfuran-3-carboxamide

N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-2-methylfuran-3-carboxamide (PubChem CID 56746305) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-2-methylfuran-3-carboxamide
PubChem CID56746305
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC NameN-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NCC(CO)Cc1cccs1
InChIInChI=1S/C14H17NO3S/c1-10-13(4-5-18-10)14(17)15-8-11(9-16)7-12-3-2-6-19-12/h2-6,11,16H,7-9H2,1H3,(H,15,17)
InChIKeyIEWDHPZHRNVWRU-UHFFFAOYSA-N
XLogP2.23
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-2-methylfuran-3-carboxamide (CID 56746305) is N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)NCC(CO)Cc1cccs1.
What is the InChIKey of N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-2-methylfuran-3-carboxamide?
The InChIKey is IEWDHPZHRNVWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-10-13(4-5-18-10)14(17)15-8-11(9-16)7-12-3-2-6-19-12/h2-6,11,16H,7-9H2,1H3,(H,15,17).
What are the key properties of N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-2-methylfuran-3-carboxamide?
N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-2-methylfuran-3-carboxamide has a molecular weight of 279.36 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 56746305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).