N-(1,3-benzodioxol-5-yl)-5-ethyl-4-methylthiophene-2-carboxamide

C15H15NO3S — CID 4879656

IUPACN-(1,3-benzodioxol-5-yl)-5-ethyl-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)Nc2ccc3c(c2)OCO3)cc1C
InChIInChI=1S/C15H15NO3S/c1-3-13-9(2)6-14(20-13)15(17)16-10-4-5-11-12(7-10)19-8-18-11/h4-7H,3,8H2,1-2H3,(H,16,17)
InChIKeyICBSJWYYNKVTNA-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.60
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-5-ethyl-4-methylthiophene-2-carboxamide

N-(1,3-benzodioxol-5-yl)-5-ethyl-4-methylthiophene-2-carboxamide (PubChem CID 4879656) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-ethyl-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-ethyl-4-methylthiophene-2-carboxamide
PubChem CID4879656
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-ethyl-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)Nc2ccc3c(c2)OCO3)cc1C
InChIInChI=1S/C15H15NO3S/c1-3-13-9(2)6-14(20-13)15(17)16-10-4-5-11-12(7-10)19-8-18-11/h4-7H,3,8H2,1-2H3,(H,16,17)
InChIKeyICBSJWYYNKVTNA-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-({[(1,3-Dioxaindan-5-yl)carbamoyl]methyl}sulfanyl)benzoic acid
CID 2554777
N-(2H-1,3-benzodioxol-5-yl)benzamide
CID 823562
N-(3,4-dimethoxyphenyl)thiophene-2-carboxamide
CID 670502
N-(Benzo[d][1,3]dioxol-5-yl)thiophene-2-carboxamide
CID 692194
N-(1,3-benzodioxol-5-yl)-2-ethylsulfanylbenzamide
CID 1094117
N-(3,4-dimethoxyphenyl)-5-methylthiophene-3-carboxamide
CID 1247262
N-1,3-benzodioxol-5-yl-2-(methylthio)benzamide
CID 2227233
N-(1,3-benzodioxol-5-yl)-2-thiophen-3-ylacetamide
CID 2478312
N-(4,5-dimethoxy-2-methylphenyl)-2-thiophen-3-ylacetamide
CID 7751189
N-(1,3-benzodioxol-5-yl)-2-methylbenzamide
CID 652863
N-(1,3-benzodioxol-5-yl)-2-methoxybenzamide
CID 673511
N-(1,3-benzodioxol-5-yl)-4-methylbenzamide
CID 675179

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-ethyl-4-methylthiophene-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-ethyl-4-methylthiophene-2-carboxamide (CID 4879656) is N-(1,3-benzodioxol-5-yl)-5-ethyl-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-ethyl-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-ethyl-4-methylthiophene-2-carboxamide is CCc1sc(C(=O)Nc2ccc3c(c2)OCO3)cc1C.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-ethyl-4-methylthiophene-2-carboxamide?
The InChIKey is ICBSJWYYNKVTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-3-13-9(2)6-14(20-13)15(17)16-10-4-5-11-12(7-10)19-8-18-11/h4-7H,3,8H2,1-2H3,(H,16,17).
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-ethyl-4-methylthiophene-2-carboxamide?
N-(1,3-benzodioxol-5-yl)-5-ethyl-4-methylthiophene-2-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 3.60, 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-ethyl-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 4879656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).