N-(2-hydroxy-3-methoxypropyl)-5-(5-methylfuran-2-yl)thiophene-2-carboxamide

C14H17NO4S — CID 86786727

IUPACN-(2-hydroxy-3-methoxypropyl)-5-(5-methylfuran-2-yl)thiophene-2-carboxamide
SMILESCOCC(O)CNC(=O)c1ccc(-c2ccc(C)o2)s1
InChIInChI=1S/C14H17NO4S/c1-9-3-4-11(19-9)12-5-6-13(20-12)14(17)15-7-10(16)8-18-2/h3-6,10,16H,7-8H2,1-2H3,(H,15,17)
InChIKeyJACVITLCRVUNNX-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.05
Rot. Bonds6

About N-(2-hydroxy-3-methoxypropyl)-5-(5-methylfuran-2-yl)thiophene-2-carboxamide

N-(2-hydroxy-3-methoxypropyl)-5-(5-methylfuran-2-yl)thiophene-2-carboxamide (PubChem CID 86786727) has the molecular formula C14H17NO4S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(2-hydroxy-3-methoxypropyl)-5-(5-methylfuran-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methoxypropyl)-5-(5-methylfuran-2-yl)thiophene-2-carboxamide
PubChem CID86786727
Molecular FormulaC14H17NO4S
Molecular Weight295.36 g/mol
Exact Mass295.09
IUPAC NameN-(2-hydroxy-3-methoxypropyl)-5-(5-methylfuran-2-yl)thiophene-2-carboxamide
SMILESCOCC(O)CNC(=O)c1ccc(-c2ccc(C)o2)s1
InChIInChI=1S/C14H17NO4S/c1-9-3-4-11(19-9)12-5-6-13(20-12)14(17)15-7-10(16)8-18-2/h3-6,10,16H,7-8H2,1-2H3,(H,15,17)
InChIKeyJACVITLCRVUNNX-UHFFFAOYSA-N
XLogP2.05
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methoxypropyl)-5-(5-methylfuran-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(2-hydroxy-3-methoxypropyl)-5-(5-methylfuran-2-yl)thiophene-2-carboxamide (CID 86786727) is N-(2-hydroxy-3-methoxypropyl)-5-(5-methylfuran-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-3-methoxypropyl)-5-(5-methylfuran-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-3-methoxypropyl)-5-(5-methylfuran-2-yl)thiophene-2-carboxamide is COCC(O)CNC(=O)c1ccc(-c2ccc(C)o2)s1.
What is the InChIKey of N-(2-hydroxy-3-methoxypropyl)-5-(5-methylfuran-2-yl)thiophene-2-carboxamide?
The InChIKey is JACVITLCRVUNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4S/c1-9-3-4-11(19-9)12-5-6-13(20-12)14(17)15-7-10(16)8-18-2/h3-6,10,16H,7-8H2,1-2H3,(H,15,17).
What are the key properties of N-(2-hydroxy-3-methoxypropyl)-5-(5-methylfuran-2-yl)thiophene-2-carboxamide?
N-(2-hydroxy-3-methoxypropyl)-5-(5-methylfuran-2-yl)thiophene-2-carboxamide has a molecular weight of 295.36 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methoxypropyl)-5-(5-methylfuran-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 86786727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).