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

C33H35FN4O5S — CID 46897519

IUPACN-[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
SMILESCOc1cc(C)c(S(=O)(=O)Nc2cccc3ccn(CC(=O)N4CCC5(CC4)CCN(c4ccc(F)cc4)C5=O)c23)c(C)c1
InChIInChI=1S/C33H35FN4O5S/c1-22-19-27(43-3)20-23(2)31(22)44(41,42)35-28-6-4-5-24-11-15-37(30(24)28)21-29(39)36-16-12-33(13-17-36)14-18-38(32(33)40)26-9-7-25(34)8-10-26/h4-11,15,19-20,35H,12-14,16-18,21H2,1-3H3
InChIKeySFJMWYUAKQJPMJ-UHFFFAOYSA-N
MW618.73 g/mol
LogP5.25
Rot. Bonds7

About 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

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 (PubChem CID 46897519) has the molecular formula C33H35FN4O5S and a molecular weight of 618.73 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID46897519
Molecular FormulaC33H35FN4O5S
Molecular Weight618.73 g/mol
Exact Mass618.23
IUPAC NameN-[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
SMILESCOc1cc(C)c(S(=O)(=O)Nc2cccc3ccn(CC(=O)N4CCC5(CC4)CCN(c4ccc(F)cc4)C5=O)c23)c(C)c1
InChIInChI=1S/C33H35FN4O5S/c1-22-19-27(43-3)20-23(2)31(22)44(41,42)35-28-6-4-5-24-11-15-37(30(24)28)21-29(39)36-16-12-33(13-17-36)14-18-38(32(33)40)26-9-7-25(34)8-10-26/h4-11,15,19-20,35H,12-14,16-18,21H2,1-3H3
InChIKeySFJMWYUAKQJPMJ-UHFFFAOYSA-N
XLogP5.25
TPSA100.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.73
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
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
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
2-(6-fluoroindol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 39334214
8-hydroxy-2-(4-methoxyphenyl)-2-azaspiro[4.5]decan-1-one
CID 52911976
N-(2-fluoro-5-morpholin-4-ylphenyl)-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 110362702
N-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]indol-4-yl]acetamide
CID 71829158
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-(4-methoxy-2,6-dimethylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]ethanone
CID 67279829
2-[7-(naphthalen-1-ylsulfonylamino)indol-1-yl]acetic acid
CID 59473753
2-(3-chlorophenyl)-8-(2-pyrrolidin-1-ylacetyl)-2,8-diazaspiro[4.5]decan-1-one
CID 176914378

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(C)c(S(=O)(=O)Nc2cccc3ccn(CC(=O)N4CCC5(CC4)CCN(c4ccc(F)cc4)C5=O)c23)c(C)c1.
What is the InChIKey of 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?
The InChIKey is SFJMWYUAKQJPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35FN4O5S/c1-22-19-27(43-3)20-23(2)31(22)44(41,42)35-28-6-4-5-24-11-15-37(30(24)28)21-29(39)36-16-12-33(13-17-36)14-18-38(32(33)40)26-9-7-25(34)8-10-26/h4-11,15,19-20,35H,12-14,16-18,21H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 618.73 g/mol, XLogP of 5.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 46897519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).