4-(1,3-benzodioxol-5-yloxymethyl)-N-(4-methylphenyl)thiophene-2-carboxamide

C20H17NO4S — CID 19484399

IUPAC4-(1,3-benzodioxol-5-yloxymethyl)-N-(4-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(COc3ccc4c(c3)OCO4)cs2)cc1
InChIInChI=1S/C20H17NO4S/c1-13-2-4-15(5-3-13)21-20(22)19-8-14(11-26-19)10-23-16-6-7-17-18(9-16)25-12-24-17/h2-9,11H,10,12H2,1H3,(H,21,22)
InChIKeyJJIWZGUPMCBBIK-UHFFFAOYSA-N
MW367.43 g/mol
LogP4.62
Rot. Bonds5

About 4-(1,3-benzodioxol-5-yloxymethyl)-N-(4-methylphenyl)thiophene-2-carboxamide

4-(1,3-benzodioxol-5-yloxymethyl)-N-(4-methylphenyl)thiophene-2-carboxamide (PubChem CID 19484399) has the molecular formula C20H17NO4S and a molecular weight of 367.43 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yloxymethyl)-N-(4-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yloxymethyl)-N-(4-methylphenyl)thiophene-2-carboxamide
PubChem CID19484399
Molecular FormulaC20H17NO4S
Molecular Weight367.43 g/mol
Exact Mass367.09
IUPAC Name4-(1,3-benzodioxol-5-yloxymethyl)-N-(4-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(COc3ccc4c(c3)OCO4)cs2)cc1
InChIInChI=1S/C20H17NO4S/c1-13-2-4-15(5-3-13)21-20(22)19-8-14(11-26-19)10-23-16-6-7-17-18(9-16)25-12-24-17/h2-9,11H,10,12H2,1H3,(H,21,22)
InChIKeyJJIWZGUPMCBBIK-UHFFFAOYSA-N
XLogP4.62
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,3-benzodioxol-5-yloxymethyl)-N-(4-ethoxyphenyl)thiophene-2-carboxamide
CID 19484345
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19499191
4-(1,3-benzodioxol-5-yloxymethyl)-N-(4-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 19484376
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471601
N-(4-methylphenyl)-4-[(4-nitrophenoxy)methyl]thiophene-2-carboxamide
CID 19500834
4-(1,3-benzodioxol-5-yloxymethyl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 19483755
4-(1,3-benzodioxol-5-yloxymethyl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiophene-2-carboxamide
CID 19483759
4-(1,3-benzodioxol-5-yloxymethyl)-N-[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiophene-2-carboxamide
CID 19483784
[4-(1,3-benzodioxol-5-yloxymethyl)thiophen-2-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 19484408
4-(1,3-benzodioxol-5-yloxymethyl)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 19484402
4-(1,3-benzodioxol-5-yloxymethyl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 19484369
4-[(3-methylphenoxy)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide
CID 19491150

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yloxymethyl)-N-(4-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of 4-(1,3-benzodioxol-5-yloxymethyl)-N-(4-methylphenyl)thiophene-2-carboxamide (CID 19484399) is 4-(1,3-benzodioxol-5-yloxymethyl)-N-(4-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yloxymethyl)-N-(4-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 4-(1,3-benzodioxol-5-yloxymethyl)-N-(4-methylphenyl)thiophene-2-carboxamide is Cc1ccc(NC(=O)c2cc(COc3ccc4c(c3)OCO4)cs2)cc1.
What is the InChIKey of 4-(1,3-benzodioxol-5-yloxymethyl)-N-(4-methylphenyl)thiophene-2-carboxamide?
The InChIKey is JJIWZGUPMCBBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4S/c1-13-2-4-15(5-3-13)21-20(22)19-8-14(11-26-19)10-23-16-6-7-17-18(9-16)25-12-24-17/h2-9,11H,10,12H2,1H3,(H,21,22).
What are the key properties of 4-(1,3-benzodioxol-5-yloxymethyl)-N-(4-methylphenyl)thiophene-2-carboxamide?
4-(1,3-benzodioxol-5-yloxymethyl)-N-(4-methylphenyl)thiophene-2-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yloxymethyl)-N-(4-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 19484399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).