N-[1-[2-[9-(azetidin-1-yl)-3-azaspiro[5.5]undecan-3-yl]-2-oxoethyl]indol-7-yl]-4-methoxy-2,6-dimethylbenzenesulfonamide

C32H42N4O4S — CID 46897241

IUPACN-[1-[2-[9-(azetidin-1-yl)-3-azaspiro[5.5]undecan-3-yl]-2-oxoethyl]indol-7-yl]-4-methoxy-2,6-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2cccc3ccn(CC(=O)N4CCC5(CCC(N6CCC6)CC5)CC4)c23)c(C)c1
InChIInChI=1S/C32H42N4O4S/c1-23-20-27(40-3)21-24(2)31(23)41(38,39)33-28-7-4-6-25-10-17-36(30(25)28)22-29(37)35-18-13-32(14-19-35)11-8-26(9-12-32)34-15-5-16-34/h4,6-7,10,17,20-21,26,33H,5,8-9,11-16,18-19,22H2,1-3H3
InChIKeyZOQXIWRTEXAFNC-UHFFFAOYSA-N
MW578.78 g/mol
LogP5.32
Rot. Bonds7

About N-[1-[2-[9-(azetidin-1-yl)-3-azaspiro[5.5]undecan-3-yl]-2-oxoethyl]indol-7-yl]-4-methoxy-2,6-dimethylbenzenesulfonamide

N-[1-[2-[9-(azetidin-1-yl)-3-azaspiro[5.5]undecan-3-yl]-2-oxoethyl]indol-7-yl]-4-methoxy-2,6-dimethylbenzenesulfonamide (PubChem CID 46897241) has the molecular formula C32H42N4O4S and a molecular weight of 578.78 g/mol. Its IUPAC name is N-[1-[2-[9-(azetidin-1-yl)-3-azaspiro[5.5]undecan-3-yl]-2-oxoethyl]indol-7-yl]-4-methoxy-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[2-[9-(azetidin-1-yl)-3-azaspiro[5.5]undecan-3-yl]-2-oxoethyl]indol-7-yl]-4-methoxy-2,6-dimethylbenzenesulfonamide
PubChem CID46897241
Molecular FormulaC32H42N4O4S
Molecular Weight578.78 g/mol
Exact Mass578.29
IUPAC NameN-[1-[2-[9-(azetidin-1-yl)-3-azaspiro[5.5]undecan-3-yl]-2-oxoethyl]indol-7-yl]-4-methoxy-2,6-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2cccc3ccn(CC(=O)N4CCC5(CCC(N6CCC6)CC5)CC4)c23)c(C)c1
InChIInChI=1S/C32H42N4O4S/c1-23-20-27(40-3)21-24(2)31(23)41(38,39)33-28-7-4-6-25-10-17-36(30(25)28)22-29(37)35-18-13-32(14-19-35)11-8-26(9-12-32)34-15-5-16-34/h4,6-7,10,17,20-21,26,33H,5,8-9,11-16,18-19,22H2,1-3H3
InChIKeyZOQXIWRTEXAFNC-UHFFFAOYSA-N
XLogP5.32
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.78
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[2-[9-(azetidin-1-yl)-3-azaspiro[5.5]undecan-3-yl]-2-oxoethyl]indol-7-yl]-4-methoxy-2,6-dimethylbenzenesulfonamide with MolForge

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Related Compounds

4-methoxy-2,6-dimethyl-N-[1-[2-oxo-2-(9-pyridin-4-yloxy-3-azaspiro[5.5]undecan-3-yl)ethyl]indol-7-yl]benzenesulfonamide
CID 59473686
N-[1-[2-[2-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]indol-7-yl]-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 46897519
N-[1-[2-[4-(3-fluorophenyl)-4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoethyl]indol-7-yl]-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 46897052
4-methoxy-2,6-dimethyl-N-[1-[2-oxo-2-[3-[6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrrolidin-1-yl]ethyl]indol-7-yl]benzenesulfonamide
CID 46897147
N-[3-[4-(dimethylamino)-4-phenylpiperidin-1-yl]propyl]-3-[7-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]indol-1-yl]-N-methylpropanamide
CID 46896562
4-chloro-2,5-dimethyl-N-[1-[3-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-3-oxopropyl]indol-7-yl]benzenesulfonamide
CID 46896756
N-(2-methoxyphenyl)-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide
CID 56544059
1-(2-cyclobutyl-2,8-diazaspiro[4.5]decan-8-yl)-2-[1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]ethanone
CID 46897095
2-[7-(naphthalen-1-ylsulfonylamino)indol-1-yl]acetic acid
CID 59473753
N-[(1-hydroxycyclobutyl)methyl]-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 115753994
1-[3-[2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]acetyl]-3-azaspiro[5.5]undecan-9-yl]-N,N-dimethylmethanamine oxide
CID 24897510
4-methyl-N-(2-methylphenyl)-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide
CID 56550836

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[9-(azetidin-1-yl)-3-azaspiro[5.5]undecan-3-yl]-2-oxoethyl]indol-7-yl]-4-methoxy-2,6-dimethylbenzenesulfonamide?
The IUPAC name of N-[1-[2-[9-(azetidin-1-yl)-3-azaspiro[5.5]undecan-3-yl]-2-oxoethyl]indol-7-yl]-4-methoxy-2,6-dimethylbenzenesulfonamide (CID 46897241) is N-[1-[2-[9-(azetidin-1-yl)-3-azaspiro[5.5]undecan-3-yl]-2-oxoethyl]indol-7-yl]-4-methoxy-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[1-[2-[9-(azetidin-1-yl)-3-azaspiro[5.5]undecan-3-yl]-2-oxoethyl]indol-7-yl]-4-methoxy-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for N-[1-[2-[9-(azetidin-1-yl)-3-azaspiro[5.5]undecan-3-yl]-2-oxoethyl]indol-7-yl]-4-methoxy-2,6-dimethylbenzenesulfonamide is COc1cc(C)c(S(=O)(=O)Nc2cccc3ccn(CC(=O)N4CCC5(CCC(N6CCC6)CC5)CC4)c23)c(C)c1.
What is the InChIKey of N-[1-[2-[9-(azetidin-1-yl)-3-azaspiro[5.5]undecan-3-yl]-2-oxoethyl]indol-7-yl]-4-methoxy-2,6-dimethylbenzenesulfonamide?
The InChIKey is ZOQXIWRTEXAFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N4O4S/c1-23-20-27(40-3)21-24(2)31(23)41(38,39)33-28-7-4-6-25-10-17-36(30(25)28)22-29(37)35-18-13-32(14-19-35)11-8-26(9-12-32)34-15-5-16-34/h4,6-7,10,17,20-21,26,33H,5,8-9,11-16,18-19,22H2,1-3H3.
What are the key properties of N-[1-[2-[9-(azetidin-1-yl)-3-azaspiro[5.5]undecan-3-yl]-2-oxoethyl]indol-7-yl]-4-methoxy-2,6-dimethylbenzenesulfonamide?
N-[1-[2-[9-(azetidin-1-yl)-3-azaspiro[5.5]undecan-3-yl]-2-oxoethyl]indol-7-yl]-4-methoxy-2,6-dimethylbenzenesulfonamide has a molecular weight of 578.78 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[9-(azetidin-1-yl)-3-azaspiro[5.5]undecan-3-yl]-2-oxoethyl]indol-7-yl]-4-methoxy-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 46897241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).