N-cyclohexyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)-2,3-dihydroindole-1-carboxamide

C25H31N3O3S — CID 53005223

IUPACN-cyclohexyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)-2,3-dihydroindole-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCc2cc(S(=O)(=O)NC3CCCc4ccccc43)ccc21
InChIInChI=1S/C25H31N3O3S/c29-25(26-20-9-2-1-3-10-20)28-16-15-19-17-21(13-14-24(19)28)32(30,31)27-23-12-6-8-18-7-4-5-11-22(18)23/h4-5,7,11,13-14,17,20,23,27H,1-3,6,8-10,12,15-16H2,(H,26,29)
InChIKeyYKYBNJVHZTWLRP-UHFFFAOYSA-N
MW453.61 g/mol
LogP4.45
Rot. Bonds4

About N-cyclohexyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)-2,3-dihydroindole-1-carboxamide

N-cyclohexyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)-2,3-dihydroindole-1-carboxamide (PubChem CID 53005223) has the molecular formula C25H31N3O3S and a molecular weight of 453.61 g/mol. Its IUPAC name is N-cyclohexyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)-2,3-dihydroindole-1-carboxamide
PubChem CID53005223
Molecular FormulaC25H31N3O3S
Molecular Weight453.61 g/mol
Exact Mass453.21
IUPAC NameN-cyclohexyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)-2,3-dihydroindole-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCc2cc(S(=O)(=O)NC3CCCc4ccccc43)ccc21
InChIInChI=1S/C25H31N3O3S/c29-25(26-20-9-2-1-3-10-20)28-16-15-19-17-21(13-14-24(19)28)32(30,31)27-23-12-6-8-18-7-4-5-11-22(18)23/h4-5,7,11,13-14,17,20,23,27H,1-3,6,8-10,12,15-16H2,(H,26,29)
InChIKeyYKYBNJVHZTWLRP-UHFFFAOYSA-N
XLogP4.45
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.61
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]-2,3-dihydroindole-1-carboxamide
CID 95065907
1-acetyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-5-sulfonamide
CID 3240386
1-acetyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 46361613
5-(cyclohexylsulfamoyl)-N-methyl-2,3-dihydroindole-1-carboxamide
CID 53005237
1-acetyl-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 120721948
N-cyclohexyl-5-[(3-methylphenyl)methylsulfamoyl]-2,3-dihydroindole-1-carboxamide
CID 53059167
1-acetyl-N-cycloheptyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3453929
1-acetyl-N-cyclopentyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3388851
5-chloro-N-cyclohexyl-2,3-dihydroindole-1-carboxamide
CID 110747460
1-acetyl-5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-6-sulfonamide
CID 46504145
N-cycloheptyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69221349
5-(4-cyclohexylphenyl)-N-cyclopentyl-2,3-dihydroindole-1-carboxamide
CID 70854159

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-cyclohexyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)-2,3-dihydroindole-1-carboxamide (CID 53005223) is N-cyclohexyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-cyclohexyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)-2,3-dihydroindole-1-carboxamide is O=C(NC1CCCCC1)N1CCc2cc(S(=O)(=O)NC3CCCc4ccccc43)ccc21.
What is the InChIKey of N-cyclohexyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is YKYBNJVHZTWLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3S/c29-25(26-20-9-2-1-3-10-20)28-16-15-19-17-21(13-14-24(19)28)32(30,31)27-23-12-6-8-18-7-4-5-11-22(18)23/h4-5,7,11,13-14,17,20,23,27H,1-3,6,8-10,12,15-16H2,(H,26,29).
What are the key properties of N-cyclohexyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)-2,3-dihydroindole-1-carboxamide?
N-cyclohexyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 453.61 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 53005223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).