N-(4-methoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide

C17H19NO3S — CID 7217404

IUPACN-(4-methoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide
SMILESCOc1ccc(NC(=O)C2(c3cccs3)CCOCC2)cc1
InChIInChI=1S/C17H19NO3S/c1-20-14-6-4-13(5-7-14)18-16(19)17(8-10-21-11-9-17)15-3-2-12-22-15/h2-7,12H,8-11H2,1H3,(H,18,19)
InChIKeyYMACJXBSJAYIJH-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.44
Rot. Bonds4

About N-(4-methoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide

N-(4-methoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide (PubChem CID 7217404) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide
PubChem CID7217404
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC NameN-(4-methoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide
SMILESCOc1ccc(NC(=O)C2(c3cccs3)CCOCC2)cc1
InChIInChI=1S/C17H19NO3S/c1-20-14-6-4-13(5-7-14)18-16(19)17(8-10-21-11-9-17)15-3-2-12-22-15/h2-7,12H,8-11H2,1H3,(H,18,19)
InChIKeyYMACJXBSJAYIJH-UHFFFAOYSA-N
XLogP3.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide
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N-(2-methoxyphenyl)-2-thiophen-3-ylacetamide
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N-[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]thiophene-2-carboxamide
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N-[4-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide (CID 7217404) is N-(4-methoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide is COc1ccc(NC(=O)C2(c3cccs3)CCOCC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide?
The InChIKey is YMACJXBSJAYIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-20-14-6-4-13(5-7-14)18-16(19)17(8-10-21-11-9-17)15-3-2-12-22-15/h2-7,12H,8-11H2,1H3,(H,18,19).
What are the key properties of N-(4-methoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide?
N-(4-methoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide is sourced from PubChem (CID 7217404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).