(5S)-5-ethyl-N-[2-(4-sulfamoylphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

C19H24N2O3S2 — CID 25496172

IUPAC(5S)-5-ethyl-N-[2-(4-sulfamoylphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCC[C@H]1CCc2sc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2C1
InChIInChI=1S/C19H24N2O3S2/c1-2-13-5-8-17-15(11-13)12-18(25-17)19(22)21-10-9-14-3-6-16(7-4-14)26(20,23)24/h3-4,6-7,12-13H,2,5,8-11H2,1H3,(H,21,22)(H2,20,23,24)/t13-/m0/s1
InChIKeyGPWRKMFZEVBAKD-ZDUSSCGKSA-N
MW392.55 g/mol
LogP2.88
Rot. Bonds6

About (5S)-5-ethyl-N-[2-(4-sulfamoylphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

(5S)-5-ethyl-N-[2-(4-sulfamoylphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (PubChem CID 25496172) has the molecular formula C19H24N2O3S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is (5S)-5-ethyl-N-[2-(4-sulfamoylphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name(5S)-5-ethyl-N-[2-(4-sulfamoylphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
PubChem CID25496172
Molecular FormulaC19H24N2O3S2
Molecular Weight392.55 g/mol
Exact Mass392.12
IUPAC Name(5S)-5-ethyl-N-[2-(4-sulfamoylphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCC[C@H]1CCc2sc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2C1
InChIInChI=1S/C19H24N2O3S2/c1-2-13-5-8-17-15(11-13)12-18(25-17)19(22)21-10-9-14-3-6-16(7-4-14)26(20,23)24/h3-4,6-7,12-13H,2,5,8-11H2,1H3,(H,21,22)(H2,20,23,24)/t13-/m0/s1
InChIKeyGPWRKMFZEVBAKD-ZDUSSCGKSA-N
XLogP2.88
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5S)-5-ethyl-N-[2-(4-sulfamoylphenyl)ethyl]-4,5,6,7-tetrahydro-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-ethyl-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 42906010
(5R)-5-ethyl-N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 7935490
N-[2-(4-aminophenyl)ethyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 119547792
[2-oxo-2-(4-sulfamoylanilino)ethyl] (5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 2668875
5-ethyl-N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 60630751
5-ethyl-N-(2-ethyl-2-hydroxybutyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 65112473
5-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 42997988
(5S)-N-benzhydryl-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 7930963
2-[(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]butanoic acid
CID 43387363
5-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 104957341
4-[(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]-3-methylbutanoic acid
CID 81062838
(5R)-5-ethyl-N-ethylsulfonyl-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 52502681

Frequently Asked Questions

What is the IUPAC name of (5S)-5-ethyl-N-[2-(4-sulfamoylphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The IUPAC name of (5S)-5-ethyl-N-[2-(4-sulfamoylphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (CID 25496172) is (5S)-5-ethyl-N-[2-(4-sulfamoylphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for (5S)-5-ethyl-N-[2-(4-sulfamoylphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for (5S)-5-ethyl-N-[2-(4-sulfamoylphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is CC[C@H]1CCc2sc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2C1.
What is the InChIKey of (5S)-5-ethyl-N-[2-(4-sulfamoylphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The InChIKey is GPWRKMFZEVBAKD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H24N2O3S2/c1-2-13-5-8-17-15(11-13)12-18(25-17)19(22)21-10-9-14-3-6-16(7-4-14)26(20,23)24/h3-4,6-7,12-13H,2,5,8-11H2,1H3,(H,21,22)(H2,20,23,24)/t13-/m0/s1.
What are the key properties of (5S)-5-ethyl-N-[2-(4-sulfamoylphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
(5S)-5-ethyl-N-[2-(4-sulfamoylphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide has a molecular weight of 392.55 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-ethyl-N-[2-(4-sulfamoylphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 25496172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).