N-[4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl]thiophene-2-carboxamide

C20H17NO4S — CID 1307709

IUPACN-[4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl]thiophene-2-carboxamide
SMILESCOc1cccc(C(=O)COc2ccc(NC(=O)c3cccs3)cc2)c1
InChIInChI=1S/C20H17NO4S/c1-24-17-5-2-4-14(12-17)18(22)13-25-16-9-7-15(8-10-16)21-20(23)19-6-3-11-26-19/h2-12H,13H2,1H3,(H,21,23)
InChIKeyZWUJAVQVEHQJDB-UHFFFAOYSA-N
MW367.43 g/mol
LogP4.27
Rot. Bonds7

About N-[4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl]thiophene-2-carboxamide

N-[4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl]thiophene-2-carboxamide (PubChem CID 1307709) has the molecular formula C20H17NO4S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl]thiophene-2-carboxamide
PubChem CID1307709
Molecular FormulaC20H17NO4S
Molecular Weight367.43 g/mol
Exact Mass367.09
IUPAC NameN-[4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl]thiophene-2-carboxamide
SMILESCOc1cccc(C(=O)COc2ccc(NC(=O)c3cccs3)cc2)c1
InChIInChI=1S/C20H17NO4S/c1-24-17-5-2-4-14(12-17)18(22)13-25-16-9-7-15(8-10-16)21-20(23)19-6-3-11-26-19/h2-12H,13H2,1H3,(H,21,23)
InChIKeyZWUJAVQVEHQJDB-UHFFFAOYSA-N
XLogP4.27
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl]thiophene-2-carboxamide (CID 1307709) is N-[4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl]thiophene-2-carboxamide is COc1cccc(C(=O)COc2ccc(NC(=O)c3cccs3)cc2)c1.
What is the InChIKey of N-[4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl]thiophene-2-carboxamide?
The InChIKey is ZWUJAVQVEHQJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4S/c1-24-17-5-2-4-14(12-17)18(22)13-25-16-9-7-15(8-10-16)21-20(23)19-6-3-11-26-19/h2-12H,13H2,1H3,(H,21,23).
What are the key properties of N-[4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl]thiophene-2-carboxamide?
N-[4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl]thiophene-2-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 1307709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).