N,N-bis(prop-2-enyl)-1-benzothiophene-2-carboxamide

C15H15NOS — CID 78804826

IUPACN,N-bis(prop-2-enyl)-1-benzothiophene-2-carboxamide
SMILESC=CCN(CC=C)C(=O)c1cc2ccccc2s1
InChIInChI=1S/C15H15NOS/c1-3-9-16(10-4-2)15(17)14-11-12-7-5-6-8-13(12)18-14/h3-8,11H,1-2,9-10H2
InChIKeyITJPSNYRSKNFGD-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.72
Rot. Bonds5

About N,N-bis(prop-2-enyl)-1-benzothiophene-2-carboxamide

N,N-bis(prop-2-enyl)-1-benzothiophene-2-carboxamide (PubChem CID 78804826) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is N,N-bis(prop-2-enyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN,N-bis(prop-2-enyl)-1-benzothiophene-2-carboxamide
PubChem CID78804826
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC NameN,N-bis(prop-2-enyl)-1-benzothiophene-2-carboxamide
SMILESC=CCN(CC=C)C(=O)c1cc2ccccc2s1
InChIInChI=1S/C15H15NOS/c1-3-9-16(10-4-2)15(17)14-11-12-7-5-6-8-13(12)18-14/h3-8,11H,1-2,9-10H2
InChIKeyITJPSNYRSKNFGD-UHFFFAOYSA-N
XLogP3.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-bis(prop-2-enyl)-1-benzothiophene-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

N-methyl-N-[1-(2-prop-2-enylphenyl)ethyl]-1-benzothiophene-2-carboxamide
CID 89299996
bis(1-benzothiophen-2-yl)methanone
CID 5330534
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
CID 107483218
N-methoxy-N-methyl-1-benzothiophene-2-carboxamide
CID 22891672
N-[(4-cyanophenyl)methyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 39859920
N-(cyclopropylmethyl)-N-propyl-1-benzothiophene-2-carboxamide
CID 134029193
5-chloro-N,N-bis(prop-2-enyl)thiophene-2-carboxamide
CID 25237569
1,5-bis(1-benzothiophen-2-yl)pentane-1,5-dione
CID 11850792
(Z)-3-(1-benzothiophen-2-yl)but-2-enoic acid
CID 114910198
N-(2-amino-2-oxoethyl)-N-phenyl-1-benzothiophene-2-carboxamide
CID 17499352
N-[(4-cyanophenyl)methyl]-N-(2,2,2-trifluoroethyl)-1-benzothiophene-2-carboxamide
CID 52641992
[5-(1-benzothiophene-2-carbonyl)thiophen-2-yl]-(1-benzothiophen-2-yl)methanone
CID 58875873

Frequently Asked Questions

What is the IUPAC name of N,N-bis(prop-2-enyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of N,N-bis(prop-2-enyl)-1-benzothiophene-2-carboxamide (CID 78804826) is N,N-bis(prop-2-enyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N,N-bis(prop-2-enyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N,N-bis(prop-2-enyl)-1-benzothiophene-2-carboxamide is C=CCN(CC=C)C(=O)c1cc2ccccc2s1.
What is the InChIKey of N,N-bis(prop-2-enyl)-1-benzothiophene-2-carboxamide?
The InChIKey is ITJPSNYRSKNFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c1-3-9-16(10-4-2)15(17)14-11-12-7-5-6-8-13(12)18-14/h3-8,11H,1-2,9-10H2.
What are the key properties of N,N-bis(prop-2-enyl)-1-benzothiophene-2-carboxamide?
N,N-bis(prop-2-enyl)-1-benzothiophene-2-carboxamide has a molecular weight of 257.36 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(prop-2-enyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 78804826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).