N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-methylthiophene-2-carboxamide

C15H15NO3S — CID 4243180

IUPACN-[1-(1,3-benzodioxol-5-yl)ethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC(C)c2ccc3c(c2)OCO3)s1
InChIInChI=1S/C15H15NO3S/c1-9-3-6-14(20-9)15(17)16-10(2)11-4-5-12-13(7-11)19-8-18-12/h3-7,10H,8H2,1-2H3,(H,16,17)
InChIKeyFWORVNCRGJKEGT-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.28
Rot. Bonds3

About N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-methylthiophene-2-carboxamide

N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-methylthiophene-2-carboxamide (PubChem CID 4243180) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-5-methylthiophene-2-carboxamide
PubChem CID4243180
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC(C)c2ccc3c(c2)OCO3)s1
InChIInChI=1S/C15H15NO3S/c1-9-3-6-14(20-9)15(17)16-10(2)11-4-5-12-13(7-11)19-8-18-12/h3-7,10H,8H2,1-2H3,(H,16,17)
InChIKeyFWORVNCRGJKEGT-UHFFFAOYSA-N
XLogP3.28
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide
CID 728907
(E)-3-(1,3-benzodioxol-5-yl)-N-ethyl-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 32920052
N-Benzo[1,3]dioxol-5-ylmethyl-3-thiophen-2-yl-acrylamide
CID 784454
N-[(3,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylacetamide
CID 6623334
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 1246974
Methyl 3-(3,4-dimethoxyphenyl)-3-[(2-thienylcarbonyl)amino]propanoate
CID 3382837
N-[1-(3,4-diethoxyphenyl)ethyl]-2-thiophenecarboxamide
CID 5013707
[4-(1,3-Benzodioxol-5-ylmethyl)piperazino](2-thienyl)methanone
CID 670283
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-thienyl)acetamide
CID 2970888
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide
CID 2810548
N-[2-(3,4-diethoxyphenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 8106251
3-Benzo[1,3]dioxol-5-yl-3-{[5-((E)-3-guanidino-3-oxo-propenyl)-thiophene-2-carbonyl]-amino}-propionic acid
CID 9804758

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-methylthiophene-2-carboxamide (CID 4243180) is N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NC(C)c2ccc3c(c2)OCO3)s1.
What is the InChIKey of N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is FWORVNCRGJKEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-9-3-6-14(20-9)15(17)16-10(2)11-4-5-12-13(7-11)19-8-18-12/h3-7,10H,8H2,1-2H3,(H,16,17).
What are the key properties of N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-methylthiophene-2-carboxamide?
N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 4243180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).