N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

C20H31N3O3S — CID 119332388

IUPACN-[3-(tert-butylsulfamoyl)-4-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCc1ccc(NC(=O)C2CC3CCCCC3N2)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C20H31N3O3S/c1-13-9-10-15(12-18(13)27(25,26)23-20(2,3)4)21-19(24)17-11-14-7-5-6-8-16(14)22-17/h9-10,12,14,16-17,22-23H,5-8,11H2,1-4H3,(H,21,24)
InChIKeyFCPLKGHMGIBWKA-UHFFFAOYSA-N
MW393.55 g/mol
LogP2.93
Rot. Bonds4

About N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (PubChem CID 119332388) has the molecular formula C20H31N3O3S and a molecular weight of 393.55 g/mol. Its IUPAC name is N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(tert-butylsulfamoyl)-4-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
PubChem CID119332388
Molecular FormulaC20H31N3O3S
Molecular Weight393.55 g/mol
Exact Mass393.21
IUPAC NameN-[3-(tert-butylsulfamoyl)-4-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCc1ccc(NC(=O)C2CC3CCCCC3N2)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C20H31N3O3S/c1-13-9-10-15(12-18(13)27(25,26)23-20(2,3)4)21-19(24)17-11-14-7-5-6-8-16(14)22-17/h9-10,12,14,16-17,22-23H,5-8,11H2,1-4H3,(H,21,24)
InChIKeyFCPLKGHMGIBWKA-UHFFFAOYSA-N
XLogP2.93
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-[4-methyl-3-(methylsulfamoyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119270677
N-[3-(tert-butylsulfamoyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119270871
N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119321959
N-(3-carbamoyl-4-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119316558
N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119331430
N-(3-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 24699251
N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-1,3-thiazolidine-4-carboxamide
CID 119332384
N-(4-carbamoyl-3-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119318631
N-[3-(difluoromethoxy)-4-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119325408
N-(3,4-dichlorophenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 43103078
3-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]cyclopentane-1-carboxamide
CID 119798958
N-(3,5-dimethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119263211

Frequently Asked Questions

What is the IUPAC name of N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The IUPAC name of N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (CID 119332388) is N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is Cc1ccc(NC(=O)C2CC3CCCCC3N2)cc1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The InChIKey is FCPLKGHMGIBWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3S/c1-13-9-10-15(12-18(13)27(25,26)23-20(2,3)4)21-19(24)17-11-14-7-5-6-8-16(14)22-17/h9-10,12,14,16-17,22-23H,5-8,11H2,1-4H3,(H,21,24).
What are the key properties of N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide has a molecular weight of 393.55 g/mol, XLogP of 2.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 119332388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).