N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1,3-benzodioxole-4-carboxamide

C20H17NO4S — CID 55966655

IUPACN-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1,3-benzodioxole-4-carboxamide
SMILESCOc1ccc(N(Cc2cccs2)C(=O)c2cccc3c2OCO3)cc1
InChIInChI=1S/C20H17NO4S/c1-23-15-9-7-14(8-10-15)21(12-16-4-3-11-26-16)20(22)17-5-2-6-18-19(17)25-13-24-18/h2-11H,12-13H2,1H3
InChIKeyYBJDNPUYJZKPFK-UHFFFAOYSA-N
MW367.43 g/mol
LogP4.33
Rot. Bonds5

About N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1,3-benzodioxole-4-carboxamide

N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1,3-benzodioxole-4-carboxamide (PubChem CID 55966655) has the molecular formula C20H17NO4S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1,3-benzodioxole-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1,3-benzodioxole-4-carboxamide
PubChem CID55966655
Molecular FormulaC20H17NO4S
Molecular Weight367.43 g/mol
Exact Mass367.09
IUPAC NameN-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1,3-benzodioxole-4-carboxamide
SMILESCOc1ccc(N(Cc2cccs2)C(=O)c2cccc3c2OCO3)cc1
InChIInChI=1S/C20H17NO4S/c1-23-15-9-7-14(8-10-15)21(12-16-4-3-11-26-16)20(22)17-5-2-6-18-19(17)25-13-24-18/h2-11H,12-13H2,1H3
InChIKeyYBJDNPUYJZKPFK-UHFFFAOYSA-N
XLogP4.33
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1,3-benzodioxole-4-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1,3-benzodioxole-4-carboxamide (CID 55966655) is N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1,3-benzodioxole-4-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1,3-benzodioxole-4-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1,3-benzodioxole-4-carboxamide is COc1ccc(N(Cc2cccs2)C(=O)c2cccc3c2OCO3)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1,3-benzodioxole-4-carboxamide?
The InChIKey is YBJDNPUYJZKPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4S/c1-23-15-9-7-14(8-10-15)21(12-16-4-3-11-26-16)20(22)17-5-2-6-18-19(17)25-13-24-18/h2-11H,12-13H2,1H3.
What are the key properties of N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1,3-benzodioxole-4-carboxamide?
N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1,3-benzodioxole-4-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1,3-benzodioxole-4-carboxamide is sourced from PubChem (CID 55966655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).