N-ethyl-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]-2,3-dihydroindole-1-carboxamide

C21H25N3O3S — CID 95065907

IUPACN-ethyl-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]-2,3-dihydroindole-1-carboxamide
SMILESCCNC(=O)N1CCc2cc(S(=O)(=O)N[C@@H]3CCCc4ccccc43)ccc21
InChIInChI=1S/C21H25N3O3S/c1-2-22-21(25)24-13-12-16-14-17(10-11-20(16)24)28(26,27)23-19-9-5-7-15-6-3-4-8-18(15)19/h3-4,6,8,10-11,14,19,23H,2,5,7,9,12-13H2,1H3,(H,22,25)/t19-/m1/s1
InChIKeyDZWJYBIYTHPXEN-LJQANCHMSA-N
MW399.52 g/mol
LogP3.13
Rot. Bonds4

About N-ethyl-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]-2,3-dihydroindole-1-carboxamide

N-ethyl-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]-2,3-dihydroindole-1-carboxamide (PubChem CID 95065907) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-ethyl-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]-2,3-dihydroindole-1-carboxamide
PubChem CID95065907
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC NameN-ethyl-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]-2,3-dihydroindole-1-carboxamide
SMILESCCNC(=O)N1CCc2cc(S(=O)(=O)N[C@@H]3CCCc4ccccc43)ccc21
InChIInChI=1S/C21H25N3O3S/c1-2-22-21(25)24-13-12-16-14-17(10-11-20(16)24)28(26,27)23-19-9-5-7-15-6-3-4-8-18(15)19/h3-4,6,8,10-11,14,19,23H,2,5,7,9,12-13H2,1H3,(H,22,25)/t19-/m1/s1
InChIKeyDZWJYBIYTHPXEN-LJQANCHMSA-N
XLogP3.13
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-5-sulfonamide
CID 3240386
N-cyclohexyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)-2,3-dihydroindole-1-carboxamide
CID 53005223
1-acetyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 46361613
5-[(2,6-dimethylphenyl)sulfamoyl]-N-ethyl-2,3-dihydroindole-1-carboxamide
CID 53058911
1-acetyl-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 120721948
5-[(2-ethoxyphenyl)sulfamoyl]-N-ethyl-2,3-dihydroindole-1-carboxamide
CID 53058945
1-acetyl-5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-6-sulfonamide
CID 46504145
5-[(2,3-dimethylphenyl)sulfamoyl]-N-ethyl-2,3-dihydroindole-1-carboxamide
CID 53058910
5-(cyclohexylsulfamoyl)-N-methyl-2,3-dihydroindole-1-carboxamide
CID 53005237
1-propanoyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydroindole-5-carboxamide
CID 51958924
methyl 3-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)benzoate
CID 133235599
N-ethyl-5-(4-ethylpiperazin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide
CID 53058948

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-ethyl-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]-2,3-dihydroindole-1-carboxamide (CID 95065907) is N-ethyl-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-ethyl-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-ethyl-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]-2,3-dihydroindole-1-carboxamide is CCNC(=O)N1CCc2cc(S(=O)(=O)N[C@@H]3CCCc4ccccc43)ccc21.
What is the InChIKey of N-ethyl-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]-2,3-dihydroindole-1-carboxamide?
The InChIKey is DZWJYBIYTHPXEN-LJQANCHMSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-2-22-21(25)24-13-12-16-14-17(10-11-20(16)24)28(26,27)23-19-9-5-7-15-6-3-4-8-18(15)19/h3-4,6,8,10-11,14,19,23H,2,5,7,9,12-13H2,1H3,(H,22,25)/t19-/m1/s1.
What are the key properties of N-ethyl-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]-2,3-dihydroindole-1-carboxamide?
N-ethyl-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 399.52 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 95065907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).