N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]thiophene-2-carboxamide

C19H14N2O4S — CID 2453523

IUPACN-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)c1cccs1
InChIInChI=1S/C19H14N2O4S/c22-18(20-12-7-8-15-16(10-12)25-11-24-15)13-4-1-2-5-14(13)21-19(23)17-6-3-9-26-17/h1-10H,11H2,(H,20,22)(H,21,23)
InChIKeySEYQHFZEMRJDJG-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.98
Rot. Bonds4

About N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]thiophene-2-carboxamide

N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]thiophene-2-carboxamide (PubChem CID 2453523) has the molecular formula C19H14N2O4S and a molecular weight of 366.40 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]thiophene-2-carboxamide
PubChem CID2453523
Molecular FormulaC19H14N2O4S
Molecular Weight366.40 g/mol
Exact Mass366.07
IUPAC NameN-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)c1cccs1
InChIInChI=1S/C19H14N2O4S/c22-18(20-12-7-8-15-16(10-12)25-11-24-15)13-4-1-2-5-14(13)21-19(23)17-6-3-9-26-17/h1-10H,11H2,(H,20,22)(H,21,23)
InChIKeySEYQHFZEMRJDJG-UHFFFAOYSA-N
XLogP3.98
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-({[(1,3-Dioxaindan-5-yl)carbamoyl]methyl}sulfanyl)benzoic acid
CID 2554777
(Z)-1-(benzo[d][1,3]dioxol-5-yl)-5-(thiophen-3-ylmethylene)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 1849188
N-(Benzo[d][1,3]dioxol-5-yl)thiophene-2-carboxamide
CID 692194
N-1,3-Benzodioxol-5-yl-2-((2-chloroacetyl)amino)benzamide
CID 2393470
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
6-Thiophen-2-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 373177
6-(1-benzothiophen-3-yl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 44220720
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-thiophen-3-ylacetamide
CID 8933682

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]thiophene-2-carboxamide (CID 2453523) is N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]thiophene-2-carboxamide is O=C(Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)c1cccs1.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]thiophene-2-carboxamide?
The InChIKey is SEYQHFZEMRJDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4S/c22-18(20-12-7-8-15-16(10-12)25-11-24-15)13-4-1-2-5-14(13)21-19(23)17-6-3-9-26-17/h1-10H,11H2,(H,20,22)(H,21,23).
What are the key properties of N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]thiophene-2-carboxamide?
N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]thiophene-2-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 2453523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).