5-chloro-N,N-bis(prop-2-enyl)thiophene-2-carboxamide

C11H12ClNOS — CID 25237569

IUPAC5-chloro-N,N-bis(prop-2-enyl)thiophene-2-carboxamide
SMILESC=CCN(CC=C)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H12ClNOS/c1-3-7-13(8-4-2)11(14)9-5-6-10(12)15-9/h3-6H,1-2,7-8H2
InChIKeyXEQDOVLJQNYOPV-UHFFFAOYSA-N
MW241.74 g/mol
LogP3.22
Rot. Bonds5

About 5-chloro-N,N-bis(prop-2-enyl)thiophene-2-carboxamide

5-chloro-N,N-bis(prop-2-enyl)thiophene-2-carboxamide (PubChem CID 25237569) has the molecular formula C11H12ClNOS and a molecular weight of 241.74 g/mol. Its IUPAC name is 5-chloro-N,N-bis(prop-2-enyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N,N-bis(prop-2-enyl)thiophene-2-carboxamide
PubChem CID25237569
Molecular FormulaC11H12ClNOS
Molecular Weight241.74 g/mol
Exact Mass241.03
IUPAC Name5-chloro-N,N-bis(prop-2-enyl)thiophene-2-carboxamide
SMILESC=CCN(CC=C)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H12ClNOS/c1-3-7-13(8-4-2)11(14)9-5-6-10(12)15-9/h3-6H,1-2,7-8H2
InChIKeyXEQDOVLJQNYOPV-UHFFFAOYSA-N
XLogP3.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-chloro-N,N-bis(prop-2-enyl)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

5-(3-chlorophenyl)-N,N-bis(prop-2-enyl)thiophene-2-carboxamide
CID 46082739
N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylthiophene-2-carboxamide
CID 60646137
2-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide
CID 63681418
N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enyl-1,3-benzodioxole-5-carboxamide
CID 78792313
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide
CID 60718665
N-[(5-chlorothiophen-2-yl)methyl]-2,2-difluoro-N-prop-2-enylacetamide
CID 103601269
N-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethyl-N-prop-2-enylpropanamide
CID 60646090
3-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-3-oxopropanoic acid
CID 55049541
N-(2-bromoethyl)-5-chloro-N-propylthiophene-2-carboxamide
CID 80665544
N,N-bis(prop-2-enyl)-1-benzothiophene-2-carboxamide
CID 78804826
(E)-3-(5-chlorothiophen-2-yl)pent-2-enoic acid
CID 82048795
1-(5-chlorothiophen-2-yl)-2-(prop-2-enylamino)ethanone
CID 94257066

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,N-bis(prop-2-enyl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N,N-bis(prop-2-enyl)thiophene-2-carboxamide (CID 25237569) is 5-chloro-N,N-bis(prop-2-enyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N,N-bis(prop-2-enyl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N,N-bis(prop-2-enyl)thiophene-2-carboxamide is C=CCN(CC=C)C(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N,N-bis(prop-2-enyl)thiophene-2-carboxamide?
The InChIKey is XEQDOVLJQNYOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNOS/c1-3-7-13(8-4-2)11(14)9-5-6-10(12)15-9/h3-6H,1-2,7-8H2.
What are the key properties of 5-chloro-N,N-bis(prop-2-enyl)thiophene-2-carboxamide?
5-chloro-N,N-bis(prop-2-enyl)thiophene-2-carboxamide has a molecular weight of 241.74 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,N-bis(prop-2-enyl)thiophene-2-carboxamide is sourced from PubChem (CID 25237569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).