N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]thiophene-2-carboxamide

C20H18N2O4S2 — CID 24993536

IUPACN-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]thiophene-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCc3cccc(NC(=O)c4cccs4)c32)cc1
InChIInChI=1S/C20H18N2O4S2/c1-26-15-7-9-16(10-8-15)28(24,25)22-12-11-14-4-2-5-17(19(14)22)21-20(23)18-6-3-13-27-18/h2-10,13H,11-12H2,1H3,(H,21,23)
InChIKeyGEGYENJIHMZYHX-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.76
Rot. Bonds5

About N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]thiophene-2-carboxamide

N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]thiophene-2-carboxamide (PubChem CID 24993536) has the molecular formula C20H18N2O4S2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]thiophene-2-carboxamide
PubChem CID24993536
Molecular FormulaC20H18N2O4S2
Molecular Weight414.51 g/mol
Exact Mass414.07
IUPAC NameN-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]thiophene-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCc3cccc(NC(=O)c4cccs4)c32)cc1
InChIInChI=1S/C20H18N2O4S2/c1-26-15-7-9-16(10-8-15)28(24,25)22-12-11-14-4-2-5-17(19(14)22)21-20(23)18-6-3-13-27-18/h2-10,13H,11-12H2,1H3,(H,21,23)
InChIKeyGEGYENJIHMZYHX-UHFFFAOYSA-N
XLogP3.76
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-hydroxy-4-(4-methoxyphenyl)sulfonyl-1-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxamide
CID 9805473
4-fluoro-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide
CID 24993214
4-cyano-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide
CID 24993216
N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]acetamide
CID 24993852
N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide
CID 24993853
N-[1-(4-methoxy-benzenesulfonyl)-2,3-dihydro-1H-indol-7-yl]-benzamide
CID 25168005
Methyl 4-[[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]carbamoyl]benzoate
CID 24993218
4-methoxy-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide
CID 24993217
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 5701640
N-(2-(indolin-1-yl)-2-(thiophen-2-yl)ethyl)-3-methoxybenzamide
CID 18577703
N-(2-aminophenyl)-4-[[[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]amino]methyl]benzamide
CID 155527045
N-(2-aminophenyl)-4-[2-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]ethyl]benzamide
CID 155538432

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]thiophene-2-carboxamide (CID 24993536) is N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]thiophene-2-carboxamide is COc1ccc(S(=O)(=O)N2CCc3cccc(NC(=O)c4cccs4)c32)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]thiophene-2-carboxamide?
The InChIKey is GEGYENJIHMZYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4S2/c1-26-15-7-9-16(10-8-15)28(24,25)22-12-11-14-4-2-5-17(19(14)22)21-20(23)18-6-3-13-27-18/h2-10,13H,11-12H2,1H3,(H,21,23).
What are the key properties of N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]thiophene-2-carboxamide?
N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]thiophene-2-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]thiophene-2-carboxamide is sourced from PubChem (CID 24993536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).