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

C13H11NO3S — CID 1246707

IUPACN-(1,3-benzodioxol-5-yl)-5-methylthiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3c(c2)OCO3)cs1
InChIInChI=1S/C13H11NO3S/c1-8-4-9(6-18-8)13(15)14-10-2-3-11-12(5-10)17-7-16-11/h2-6H,7H2,1H3,(H,14,15)
InChIKeyKIWOOHLQKMGPDQ-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.04
Rot. Bonds2

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

N-(1,3-benzodioxol-5-yl)-5-methylthiophene-3-carboxamide (PubChem CID 1246707) has the molecular formula C13H11NO3S and a molecular weight of 261.30 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-methylthiophene-3-carboxamide
PubChem CID1246707
Molecular FormulaC13H11NO3S
Molecular Weight261.30 g/mol
Exact Mass261.05
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-methylthiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3c(c2)OCO3)cs1
InChIInChI=1S/C13H11NO3S/c1-8-4-9(6-18-8)13(15)14-10-2-3-11-12(5-10)17-7-16-11/h2-6H,7H2,1H3,(H,14,15)
InChIKeyKIWOOHLQKMGPDQ-UHFFFAOYSA-N
XLogP3.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.04
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-(3-methoxyphenyl)thiophene-2-carboxamide
CID 790310
(Z)-1-(benzo[d][1,3]dioxol-5-yl)-5-(thiophen-3-ylmethylene)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 1849188
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-(1,3-benzodioxol-5-yl)-5-ethyl-4-methylthiophene-2-carboxamide
CID 4879656
N-(4,5-dimethoxy-2-methylphenyl)-2-thiophen-3-ylacetamide
CID 7751189
N-(1,3-benzodioxol-5-yl)-5-bromothiophene-2-carboxamide
CID 1225746

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-methylthiophene-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-methylthiophene-3-carboxamide (CID 1246707) is N-(1,3-benzodioxol-5-yl)-5-methylthiophene-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-methylthiophene-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-methylthiophene-3-carboxamide is Cc1cc(C(=O)Nc2ccc3c(c2)OCO3)cs1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-methylthiophene-3-carboxamide?
The InChIKey is KIWOOHLQKMGPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3S/c1-8-4-9(6-18-8)13(15)14-10-2-3-11-12(5-10)17-7-16-11/h2-6H,7H2,1H3,(H,14,15).
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-methylthiophene-3-carboxamide?
N-(1,3-benzodioxol-5-yl)-5-methylthiophene-3-carboxamide has a molecular weight of 261.30 g/mol, XLogP of 3.04, 2 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-methylthiophene-3-carboxamide is sourced from PubChem (CID 1246707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).