N-(1,3-benzodioxol-5-yl)-5-ethylthiophene-2-carboxamide

C14H13NO3S — CID 47114542

IUPACN-(1,3-benzodioxol-5-yl)-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2ccc3c(c2)OCO3)s1
InChIInChI=1S/C14H13NO3S/c1-2-10-4-6-13(19-10)14(16)15-9-3-5-11-12(7-9)18-8-17-11/h3-7H,2,8H2,1H3,(H,15,16)
InChIKeySVTFPBUYRHEAPF-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.29
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-5-ethylthiophene-2-carboxamide

N-(1,3-benzodioxol-5-yl)-5-ethylthiophene-2-carboxamide (PubChem CID 47114542) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-ethylthiophene-2-carboxamide
PubChem CID47114542
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2ccc3c(c2)OCO3)s1
InChIInChI=1S/C14H13NO3S/c1-2-10-4-6-13(19-10)14(16)15-9-3-5-11-12(7-9)18-8-17-11/h3-7H,2,8H2,1H3,(H,15,16)
InChIKeySVTFPBUYRHEAPF-UHFFFAOYSA-N
XLogP3.29
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1,3-benzodioxol-5-ylcarbamoyl)thiophene-2-carboxylic acid
CID 43414348
N-(1,3-benzodioxol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110863143
N-(4-bromophenyl)-5-ethylthiophene-2-carboxamide
CID 36676613
5-ethyl-N-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide
CID 64793569
N-(1,3-benzodioxol-5-yl)-5-(4-chlorophenyl)thiophene-2-carboxamide
CID 26718880
N-(1,3-benzodioxol-5-yl)-2-(5-ethylthiophen-2-yl)quinoline-4-carboxamide
CID 1261575
1-(1,3-benzodioxol-5-yl)-3-(4-ethylphenyl)urea
CID 6466543
N-(3-carbamoylphenyl)-5-ethylthiophene-2-carboxamide
CID 47114852
N-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 2582289
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-ethylthiophene-2-carboxamide
CID 4219949
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-triethylazanium
CID 2379667
N-(1,3-benzodioxol-5-yl)-3,5-dibromobenzamide
CID 107980044

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-ethylthiophene-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-ethylthiophene-2-carboxamide (CID 47114542) is N-(1,3-benzodioxol-5-yl)-5-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-ethylthiophene-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-ethylthiophene-2-carboxamide is CCc1ccc(C(=O)Nc2ccc3c(c2)OCO3)s1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-ethylthiophene-2-carboxamide?
The InChIKey is SVTFPBUYRHEAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c1-2-10-4-6-13(19-10)14(16)15-9-3-5-11-12(7-9)18-8-17-11/h3-7H,2,8H2,1H3,(H,15,16).
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-ethylthiophene-2-carboxamide?
N-(1,3-benzodioxol-5-yl)-5-ethylthiophene-2-carboxamide has a molecular weight of 275.33 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-5-ethylthiophene-2-carboxamide is sourced from PubChem (CID 47114542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).