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

C34H40N4O5S — CID 59473686

IUPAC4-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
SMILESCOc1cc(C)c(S(=O)(=O)Nc2cccc3ccn(CC(=O)N4CCC5(CCC(Oc6ccncc6)CC5)CC4)c23)c(C)c1
InChIInChI=1S/C34H40N4O5S/c1-24-21-29(42-3)22-25(2)33(24)44(40,41)36-30-6-4-5-26-11-18-38(32(26)30)23-31(39)37-19-14-34(15-20-37)12-7-27(8-13-34)43-28-9-16-35-17-10-28/h4-6,9-11,16-18,21-22,27,36H,7-8,12-15,19-20,23H2,1-3H3
InChIKeyMFZAGHJRALGRMT-UHFFFAOYSA-N
MW616.78 g/mol
LogP6.09
Rot. Bonds8

About 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

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 (PubChem CID 59473686) has the molecular formula C34H40N4O5S and a molecular weight of 616.78 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID59473686
Molecular FormulaC34H40N4O5S
Molecular Weight616.78 g/mol
Exact Mass616.27
IUPAC Name4-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
SMILESCOc1cc(C)c(S(=O)(=O)Nc2cccc3ccn(CC(=O)N4CCC5(CCC(Oc6ccncc6)CC5)CC4)c23)c(C)c1
InChIInChI=1S/C34H40N4O5S/c1-24-21-29(42-3)22-25(2)33(24)44(40,41)36-30-6-4-5-26-11-18-38(32(26)30)23-31(39)37-19-14-34(15-20-37)12-7-27(8-13-34)43-28-9-16-35-17-10-28/h4-6,9-11,16-18,21-22,27,36H,7-8,12-15,19-20,23H2,1-3H3
InChIKeyMFZAGHJRALGRMT-UHFFFAOYSA-N
XLogP6.09
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.78
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
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
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
1-(3-pyridin-4-yloxypiperidin-1-yl)-2-pyrrol-1-ylethanone
CID 122255870
7-methyl-2-[1-[2-oxo-2-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethyl]indol-6-yl]-3H-isoindol-1-one
CID 46897244
2-[7-(naphthalen-1-ylsulfonylamino)indol-1-yl]acetic acid
CID 59473753
4-methyl-2-[2-oxo-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]phthalazin-1-one
CID 70743963
4-methoxy-2,6-dimethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 110716657
2-(3-methylphenoxy)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90617132
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(C)c(S(=O)(=O)Nc2cccc3ccn(CC(=O)N4CCC5(CCC(Oc6ccncc6)CC5)CC4)c23)c(C)c1.
What is the InChIKey of 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?
The InChIKey is MFZAGHJRALGRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N4O5S/c1-24-21-29(42-3)22-25(2)33(24)44(40,41)36-30-6-4-5-26-11-18-38(32(26)30)23-31(39)37-19-14-34(15-20-37)12-7-27(8-13-34)43-28-9-16-35-17-10-28/h4-6,9-11,16-18,21-22,27,36H,7-8,12-15,19-20,23H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 616.78 g/mol, XLogP of 6.09, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 59473686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).