N-[(4-sulfamoylphenyl)methyl]-5-[4-(trifluoromethyl)-3-pyridinyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide

C26H25F3N4O3S — CID 134549019

IUPACN-[(4-sulfamoylphenyl)methyl]-5-[4-(trifluoromethyl)-3-pyridinyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)N2CC3(CCCC3)c3cc(-c4cnccc4C(F)(F)F)ccc32)cc1
InChIInChI=1S/C26H25F3N4O3S/c27-26(28,29)21-9-12-31-15-20(21)18-5-8-23-22(13-18)25(10-1-2-11-25)16-33(23)24(34)32-14-17-3-6-19(7-4-17)37(30,35)36/h3-9,12-13,15H,1-2,10-11,14,16H2,(H,32,34)(H2,30,35,36)
InChIKeyRQKYTPRQGUXXNM-UHFFFAOYSA-N
MW530.57 g/mol
LogP4.96
Rot. Bonds4

About N-[(4-sulfamoylphenyl)methyl]-5-[4-(trifluoromethyl)-3-pyridinyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide

N-[(4-sulfamoylphenyl)methyl]-5-[4-(trifluoromethyl)-3-pyridinyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide (PubChem CID 134549019) has the molecular formula C26H25F3N4O3S and a molecular weight of 530.57 g/mol. Its IUPAC name is N-[(4-sulfamoylphenyl)methyl]-5-[4-(trifluoromethyl)-3-pyridinyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide.

Molecular Properties

Compound NameN-[(4-sulfamoylphenyl)methyl]-5-[4-(trifluoromethyl)-3-pyridinyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
PubChem CID134549019
Molecular FormulaC26H25F3N4O3S
Molecular Weight530.57 g/mol
Exact Mass530.16
IUPAC NameN-[(4-sulfamoylphenyl)methyl]-5-[4-(trifluoromethyl)-3-pyridinyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)N2CC3(CCCC3)c3cc(-c4cnccc4C(F)(F)F)ccc32)cc1
InChIInChI=1S/C26H25F3N4O3S/c27-26(28,29)21-9-12-31-15-20(21)18-5-8-23-22(13-18)25(10-1-2-11-25)16-33(23)24(34)32-14-17-3-6-19(7-4-17)37(30,35)36/h3-9,12-13,15H,1-2,10-11,14,16H2,(H,32,34)(H2,30,35,36)
InChIKeyRQKYTPRQGUXXNM-UHFFFAOYSA-N
XLogP4.96
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.57
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(methylsulfonyl)-N-(4-(pyridin-4-yl)phenyl)spiro[indoline-3,4''-piperidine]-1''-carboxamide
CID 9890550
N-[[4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylphenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 71817668
1-(methylsulfonyl)-N-(4-(pyridin-2-yl)phenyl)spiro[indoline-3,4''-piperidine]-1''-carboxamide
CID 44573704
1-(methylsulfonyl)-N-(4-(pyridin-3-yl)phenyl)spiro[indoline-3,4''-piperidine]-1''-carboxamide
CID 44573705
4-fluoro-N-(1-((1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl)piperidin-4-ylcarbamoyl)benzenesulfonamide
CID 45270273
1-[4-[Methyl-[[3-(trifluoromethyl)phenyl]methyl]sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 56928451
N-[4-[(4-propylphenyl)sulfonylamino]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 57510631
N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 57510636
5-(3-amino-6-(4-(N-cyclopropyl-N-methylsulfamoyl)phenyl)pyrazin-2-yl)-N-methylindoline-1-carboxamide
CID 60196662
N-[2-phenyl-5-(2,2,2-trifluoroethylsulfamoyl)phenyl]indole-1-carboxamide
CID 90100688
1-[2-Phenyl-5-(2,2,2-trifluoroethylsulfamoyl)phenyl]-3-[5-(trifluoromethyl)pyridin-3-yl]urea
CID 90145385
1-[2-Phenyl-5-(2,2,2-trifluoroethylsulfamoyl)phenyl]-3-[3-(trifluoromethyl)pyridin-4-yl]urea
CID 90145431

Frequently Asked Questions

What is the IUPAC name of N-[(4-sulfamoylphenyl)methyl]-5-[4-(trifluoromethyl)-3-pyridinyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide?
The IUPAC name of N-[(4-sulfamoylphenyl)methyl]-5-[4-(trifluoromethyl)-3-pyridinyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide (CID 134549019) is N-[(4-sulfamoylphenyl)methyl]-5-[4-(trifluoromethyl)-3-pyridinyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide.
What is the SMILES notation for N-[(4-sulfamoylphenyl)methyl]-5-[4-(trifluoromethyl)-3-pyridinyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide?
The canonical SMILES for N-[(4-sulfamoylphenyl)methyl]-5-[4-(trifluoromethyl)-3-pyridinyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide is NS(=O)(=O)c1ccc(CNC(=O)N2CC3(CCCC3)c3cc(-c4cnccc4C(F)(F)F)ccc32)cc1.
What is the InChIKey of N-[(4-sulfamoylphenyl)methyl]-5-[4-(trifluoromethyl)-3-pyridinyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide?
The InChIKey is RQKYTPRQGUXXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O3S/c27-26(28,29)21-9-12-31-15-20(21)18-5-8-23-22(13-18)25(10-1-2-11-25)16-33(23)24(34)32-14-17-3-6-19(7-4-17)37(30,35)36/h3-9,12-13,15H,1-2,10-11,14,16H2,(H,32,34)(H2,30,35,36).
What are the key properties of N-[(4-sulfamoylphenyl)methyl]-5-[4-(trifluoromethyl)-3-pyridinyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide?
N-[(4-sulfamoylphenyl)methyl]-5-[4-(trifluoromethyl)-3-pyridinyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide has a molecular weight of 530.57 g/mol, XLogP of 4.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-sulfamoylphenyl)methyl]-5-[4-(trifluoromethyl)-3-pyridinyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide is sourced from PubChem (CID 134549019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).