5,5-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]-6,7-dihydro-4H-1-benzothiophene-2-carboxamide

C19H24N2O3S2 — CID 119032991

IUPAC5,5-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]-6,7-dihydro-4H-1-benzothiophene-2-carboxamide
SMILESCC(NC(=O)c1cc2c(s1)CCC(C)(C)C2)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H24N2O3S2/c1-12(13-4-6-15(7-5-13)26(20,23)24)21-18(22)17-10-14-11-19(2,3)9-8-16(14)25-17/h4-7,10,12H,8-9,11H2,1-3H3,(H,21,22)(H2,20,23,24)
InChIKeyUMVYILPHQBXKRE-UHFFFAOYSA-N
MW392.55 g/mol
LogP3.40
Rot. Bonds4

About 5,5-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]-6,7-dihydro-4H-1-benzothiophene-2-carboxamide

5,5-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]-6,7-dihydro-4H-1-benzothiophene-2-carboxamide (PubChem CID 119032991) has the molecular formula C19H24N2O3S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is 5,5-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]-6,7-dihydro-4H-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5,5-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]-6,7-dihydro-4H-1-benzothiophene-2-carboxamide
PubChem CID119032991
Molecular FormulaC19H24N2O3S2
Molecular Weight392.55 g/mol
Exact Mass392.12
IUPAC Name5,5-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]-6,7-dihydro-4H-1-benzothiophene-2-carboxamide
SMILESCC(NC(=O)c1cc2c(s1)CCC(C)(C)C2)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H24N2O3S2/c1-12(13-4-6-15(7-5-13)26(20,23)24)21-18(22)17-10-14-11-19(2,3)9-8-16(14)25-17/h4-7,10,12H,8-9,11H2,1-3H3,(H,21,22)(H2,20,23,24)
InChIKeyUMVYILPHQBXKRE-UHFFFAOYSA-N
XLogP3.40
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5,5-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]-6,7-dihydro-4H-1-benzothiophene-2-carboxamide with MolForge

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Related Compounds

5-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 51247196
5-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
CID 2594407
N-[(1R)-1-phenylethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 9032455
4-ethyl-5-propyl-N-[1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
CID 55333294
1-methyl-N-[1-(4-sulfamoylphenyl)ethyl]cyclopentane-1-carboxamide
CID 78909788
N-[(1R)-1-pyridin-4-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 40551890
N-[1-(3,4-dimethoxyphenyl)ethyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 17329679
1-(aminomethyl)-N-[1-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115452372
5-chloro-N-[1-(4-sulfamoylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618162
N-(4-sulfamoylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 9034844
3-(difluoromethoxy)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 2537276
N-[(1S)-1-naphthalen-2-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 7899677

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]-6,7-dihydro-4H-1-benzothiophene-2-carboxamide?
The IUPAC name of 5,5-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]-6,7-dihydro-4H-1-benzothiophene-2-carboxamide (CID 119032991) is 5,5-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]-6,7-dihydro-4H-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5,5-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]-6,7-dihydro-4H-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5,5-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]-6,7-dihydro-4H-1-benzothiophene-2-carboxamide is CC(NC(=O)c1cc2c(s1)CCC(C)(C)C2)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 5,5-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]-6,7-dihydro-4H-1-benzothiophene-2-carboxamide?
The InChIKey is UMVYILPHQBXKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S2/c1-12(13-4-6-15(7-5-13)26(20,23)24)21-18(22)17-10-14-11-19(2,3)9-8-16(14)25-17/h4-7,10,12H,8-9,11H2,1-3H3,(H,21,22)(H2,20,23,24).
What are the key properties of 5,5-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]-6,7-dihydro-4H-1-benzothiophene-2-carboxamide?
5,5-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]-6,7-dihydro-4H-1-benzothiophene-2-carboxamide has a molecular weight of 392.55 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]-6,7-dihydro-4H-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 119032991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).