5-[benzenesulfonyl(methyl)amino]-N-prop-2-enyl-1-benzothiophene-2-carboxamide

C19H18N2O3S2 — CID 50810295

IUPAC5-[benzenesulfonyl(methyl)amino]-N-prop-2-enyl-1-benzothiophene-2-carboxamide
SMILESC=CCNC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccccc3)ccc2s1
InChIInChI=1S/C19H18N2O3S2/c1-3-11-20-19(22)18-13-14-12-15(9-10-17(14)25-18)21(2)26(23,24)16-7-5-4-6-8-16/h3-10,12-13H,1,11H2,2H3,(H,20,22)
InChIKeyPNOGXSBVUFZMNJ-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.64
Rot. Bonds6

About 5-[benzenesulfonyl(methyl)amino]-N-prop-2-enyl-1-benzothiophene-2-carboxamide

5-[benzenesulfonyl(methyl)amino]-N-prop-2-enyl-1-benzothiophene-2-carboxamide (PubChem CID 50810295) has the molecular formula C19H18N2O3S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 5-[benzenesulfonyl(methyl)amino]-N-prop-2-enyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-[benzenesulfonyl(methyl)amino]-N-prop-2-enyl-1-benzothiophene-2-carboxamide
PubChem CID50810295
Molecular FormulaC19H18N2O3S2
Molecular Weight386.50 g/mol
Exact Mass386.08
IUPAC Name5-[benzenesulfonyl(methyl)amino]-N-prop-2-enyl-1-benzothiophene-2-carboxamide
SMILESC=CCNC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccccc3)ccc2s1
InChIInChI=1S/C19H18N2O3S2/c1-3-11-20-19(22)18-13-14-12-15(9-10-17(14)25-18)21(2)26(23,24)16-7-5-4-6-8-16/h3-10,12-13H,1,11H2,2H3,(H,20,22)
InChIKeyPNOGXSBVUFZMNJ-UHFFFAOYSA-N
XLogP3.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[benzenesulfonyl(methyl)amino]-N-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

5-[benzenesulfonyl(methyl)amino]-N-(3,5-dimethylphenyl)-1-benzothiophene-2-carboxamide
CID 50810511
5-[(4-chlorophenyl)sulfonyl-methylamino]-N-hydroxy-1-benzothiophene-2-carboxamide
CID 11234881
5-[(4-bromophenyl)sulfonyl-methylamino]-N-butyl-1-benzothiophene-2-carboxamide
CID 17246793
5-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-methoxyethyl)-1-benzothiophene-2-carboxamide
CID 17246801
5-[benzenesulfonyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide
CID 50810605
5-[(4-methylphenyl)methyl-methylsulfonylamino]-N-prop-2-enyl-1-benzothiophene-2-carboxamide
CID 17246595
N-(furan-2-ylmethyl)-5-[methyl-(4-methylphenyl)sulfonylamino]-1-benzothiophene-2-carboxamide
CID 50810576
5-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1-phenylethyl)-1-benzothiophene-2-carboxamide
CID 50810455
N-(2-ethylphenyl)-5-[methyl-(4-methylphenyl)sulfonylamino]-1-benzothiophene-2-carboxamide
CID 50810758
5-[(4-bromophenyl)sulfonyl-methylamino]-N-[(1S)-1-phenylethyl]-1-benzothiophene-2-carboxamide
CID 124537222
5-[ethylsulfonyl(methyl)amino]-N-(2-phenylethyl)-1-benzothiophene-2-carboxamide
CID 50810537
N-tert-butyl-5-[methyl-(4-methylphenyl)sulfonylamino]-1-benzothiophene-2-carboxamide
CID 50810390

Frequently Asked Questions

What is the IUPAC name of 5-[benzenesulfonyl(methyl)amino]-N-prop-2-enyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-[benzenesulfonyl(methyl)amino]-N-prop-2-enyl-1-benzothiophene-2-carboxamide (CID 50810295) is 5-[benzenesulfonyl(methyl)amino]-N-prop-2-enyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-[benzenesulfonyl(methyl)amino]-N-prop-2-enyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-[benzenesulfonyl(methyl)amino]-N-prop-2-enyl-1-benzothiophene-2-carboxamide is C=CCNC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccccc3)ccc2s1.
What is the InChIKey of 5-[benzenesulfonyl(methyl)amino]-N-prop-2-enyl-1-benzothiophene-2-carboxamide?
The InChIKey is PNOGXSBVUFZMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S2/c1-3-11-20-19(22)18-13-14-12-15(9-10-17(14)25-18)21(2)26(23,24)16-7-5-4-6-8-16/h3-10,12-13H,1,11H2,2H3,(H,20,22).
What are the key properties of 5-[benzenesulfonyl(methyl)amino]-N-prop-2-enyl-1-benzothiophene-2-carboxamide?
5-[benzenesulfonyl(methyl)amino]-N-prop-2-enyl-1-benzothiophene-2-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzenesulfonyl(methyl)amino]-N-prop-2-enyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 50810295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).