N-(4-tert-butyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-4-(dimethylsulfamoyl)benzamide

C22H33N3O4S — CID 75279813

IUPACN-(4-tert-butyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-4-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NC2CCC3C(C2)NC(=O)CC3C(C)(C)C)cc1
InChIInChI=1S/C22H33N3O4S/c1-22(2,3)18-13-20(26)24-19-12-15(8-11-17(18)19)23-21(27)14-6-9-16(10-7-14)30(28,29)25(4)5/h6-7,9-10,15,17-19H,8,11-13H2,1-5H3,(H,23,27)(H,24,26)
InChIKeyUGVCIIPSONXNMT-UHFFFAOYSA-N
MW435.59 g/mol
LogP2.39
Rot. Bonds4

About N-(4-tert-butyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-4-(dimethylsulfamoyl)benzamide

N-(4-tert-butyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-4-(dimethylsulfamoyl)benzamide (PubChem CID 75279813) has the molecular formula C22H33N3O4S and a molecular weight of 435.59 g/mol. Its IUPAC name is N-(4-tert-butyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-4-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-tert-butyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-4-(dimethylsulfamoyl)benzamide
PubChem CID75279813
Molecular FormulaC22H33N3O4S
Molecular Weight435.59 g/mol
Exact Mass435.22
IUPAC NameN-(4-tert-butyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-4-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NC2CCC3C(C2)NC(=O)CC3C(C)(C)C)cc1
InChIInChI=1S/C22H33N3O4S/c1-22(2,3)18-13-20(26)24-19-12-15(8-11-17(18)19)23-21(27)14-6-9-16(10-7-14)30(28,29)25(4)5/h6-7,9-10,15,17-19H,8,11-13H2,1-5H3,(H,23,27)(H,24,26)
InChIKeyUGVCIIPSONXNMT-UHFFFAOYSA-N
XLogP2.39
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.59
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(diethylsulfamoyl)-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]benzamide
CID 75280052
4-tert-butyl-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide
CID 75280461
4-chloro-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide
CID 75278993
N-cyclopropyl-3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzamide
CID 9247210
4-tert-butyl-N-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)benzamide
CID 78387009
N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-3-fluorobenzamide
CID 75280478
N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-1H-indole-5-carboxamide
CID 75280128
N-(2,3-dimethylcyclohexyl)-4-(dimethylsulfamoyl)benzamide
CID 17388431
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-(dimethylsulfamoyl)benzamide
CID 26797148
4-(dimethylsulfamoyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
CID 55335277
3-cyano-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide
CID 75279124
N-cyclopropyl-4-[methyl-[(3-methyl-4-pyridinyl)methyl]sulfamoyl]benzamide
CID 70774144

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-4-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-(4-tert-butyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-4-(dimethylsulfamoyl)benzamide (CID 75279813) is N-(4-tert-butyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-4-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-tert-butyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-4-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-(4-tert-butyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-4-(dimethylsulfamoyl)benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)NC2CCC3C(C2)NC(=O)CC3C(C)(C)C)cc1.
What is the InChIKey of N-(4-tert-butyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-4-(dimethylsulfamoyl)benzamide?
The InChIKey is UGVCIIPSONXNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O4S/c1-22(2,3)18-13-20(26)24-19-12-15(8-11-17(18)19)23-21(27)14-6-9-16(10-7-14)30(28,29)25(4)5/h6-7,9-10,15,17-19H,8,11-13H2,1-5H3,(H,23,27)(H,24,26).
What are the key properties of N-(4-tert-butyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-4-(dimethylsulfamoyl)benzamide?
N-(4-tert-butyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-4-(dimethylsulfamoyl)benzamide has a molecular weight of 435.59 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-4-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 75279813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).