N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)phenyl]-7-cyclobutyloxy-1-methylindole-5-carboxamide

C29H36N4O5S — CID 177373106

IUPACN-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)phenyl]-7-cyclobutyloxy-1-methylindole-5-carboxamide
SMILESCn1ccc2cc(C(=O)Nc3ccc(S(=O)(=O)NCCO)cc3N3CCC4(CC3)CC4)cc(OC3CCC3)c21
InChIInChI=1S/C29H36N4O5S/c1-32-13-7-20-17-21(18-26(27(20)32)38-22-3-2-4-22)28(35)31-24-6-5-23(39(36,37)30-12-16-34)19-25(24)33-14-10-29(8-9-29)11-15-33/h5-7,13,17-19,22,30,34H,2-4,8-12,14-16H2,1H3,(H,31,35)
InChIKeyOYJIVFWHMVBNJX-UHFFFAOYSA-N
MW552.70 g/mol
LogP4.01
Rot. Bonds9

About N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)phenyl]-7-cyclobutyloxy-1-methylindole-5-carboxamide

N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)phenyl]-7-cyclobutyloxy-1-methylindole-5-carboxamide (PubChem CID 177373106) has the molecular formula C29H36N4O5S and a molecular weight of 552.70 g/mol. Its IUPAC name is N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)phenyl]-7-cyclobutyloxy-1-methylindole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)phenyl]-7-cyclobutyloxy-1-methylindole-5-carboxamide
PubChem CID177373106
Molecular FormulaC29H36N4O5S
Molecular Weight552.70 g/mol
Exact Mass552.24
IUPAC NameN-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)phenyl]-7-cyclobutyloxy-1-methylindole-5-carboxamide
SMILESCn1ccc2cc(C(=O)Nc3ccc(S(=O)(=O)NCCO)cc3N3CCC4(CC3)CC4)cc(OC3CCC3)c21
InChIInChI=1S/C29H36N4O5S/c1-32-13-7-20-17-21(18-26(27(20)32)38-22-3-2-4-22)28(35)31-24-6-5-23(39(36,37)30-12-16-34)19-25(24)33-14-10-29(8-9-29)11-15-33/h5-7,13,17-19,22,30,34H,2-4,8-12,14-16H2,1H3,(H,31,35)
InChIKeyOYJIVFWHMVBNJX-UHFFFAOYSA-N
XLogP4.01
TPSA112.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.70
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)phenyl]-7-(4,4-difluoropiperidin-1-yl)-1-methylindole-5-carboxamide
CID 177373100
N-[2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]-7-(4,4-difluoropiperidin-1-yl)-1-methylindole-5-carboxamide
CID 176791869
2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)-N-[1-methyl-7-[(2R)-2-methylmorpholin-4-yl]indol-5-yl]benzamide
CID 177373085
N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylamino)sulfanylphenyl]-3-cyclobutyloxy-4-(fluoromethoxy)benzamide
CID 170179387
methyl 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)benzoate
CID 171824917
N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)phenyl]-7-(4-fluoropiperidin-1-yl)furo[2,3-c]pyridine-5-carboxamide
CID 176791913
7-(5-azaspiro[2.4]heptan-5-yl)-N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)phenyl]-2,3-dihydrofuro[2,3-c]pyridine-5-carboxamide
CID 176791902
7-(5-azaspiro[2.4]heptan-5-yl)-N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)phenyl]-1-methylpyrrolo[2,3-c]pyridine-5-carboxamide
CID 176791866
2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)-N-[1-methyl-7-(3,3,3-trifluoropropoxy)-2,3-dihydroindol-5-yl]benzamide
CID 177373076
3-(5-azaspiro[2.4]heptan-5-yl)-N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylamino)sulfanylphenyl]-4-(fluoromethoxy)benzamide
CID 170179386
2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)-N-(1-methyl-7-morpholin-4-yl-2,3-dihydropyrrolo[2,3-c]pyridin-5-yl)benzamide
CID 176792037
4-cyclopentyloxy-3-fluoro-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 110312227

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)phenyl]-7-cyclobutyloxy-1-methylindole-5-carboxamide?
The IUPAC name of N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)phenyl]-7-cyclobutyloxy-1-methylindole-5-carboxamide (CID 177373106) is N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)phenyl]-7-cyclobutyloxy-1-methylindole-5-carboxamide.
What is the SMILES notation for N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)phenyl]-7-cyclobutyloxy-1-methylindole-5-carboxamide?
The canonical SMILES for N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)phenyl]-7-cyclobutyloxy-1-methylindole-5-carboxamide is Cn1ccc2cc(C(=O)Nc3ccc(S(=O)(=O)NCCO)cc3N3CCC4(CC3)CC4)cc(OC3CCC3)c21.
What is the InChIKey of N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)phenyl]-7-cyclobutyloxy-1-methylindole-5-carboxamide?
The InChIKey is OYJIVFWHMVBNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O5S/c1-32-13-7-20-17-21(18-26(27(20)32)38-22-3-2-4-22)28(35)31-24-6-5-23(39(36,37)30-12-16-34)19-25(24)33-14-10-29(8-9-29)11-15-33/h5-7,13,17-19,22,30,34H,2-4,8-12,14-16H2,1H3,(H,31,35).
What are the key properties of N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)phenyl]-7-cyclobutyloxy-1-methylindole-5-carboxamide?
N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)phenyl]-7-cyclobutyloxy-1-methylindole-5-carboxamide has a molecular weight of 552.70 g/mol, XLogP of 4.01, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)phenyl]-7-cyclobutyloxy-1-methylindole-5-carboxamide is sourced from PubChem (CID 177373106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).