7-[2-[[2-[3-(dimethylsulfamoylamino)-4-phenylmethoxyphenyl]-2-triethylsilyloxyethyl]amino]ethoxy]-2,3,4,9-tetrahydro-1H-carbazole

C37H52N4O5SSi — CID 22111223

IUPAC7-[2-[[2-[3-(dimethylsulfamoylamino)-4-phenylmethoxyphenyl]-2-triethylsilyloxyethyl]amino]ethoxy]-2,3,4,9-tetrahydro-1H-carbazole
SMILESCC[Si](CC)(CC)OC(CNCCOc1ccc2c3c([nH]c2c1)CCCC3)c1ccc(OCc2ccccc2)c(NS(=O)(=O)N(C)C)c1
InChIInChI=1S/C37H52N4O5SSi/c1-6-48(7-2,8-3)46-37(26-38-22-23-44-30-19-20-32-31-16-12-13-17-33(31)39-34(32)25-30)29-18-21-36(45-27-28-14-10-9-11-15-28)35(24-29)40-47(42,43)41(4)5/h9-11,14-15,18-21,24-25,37-40H,6-8,12-13,16-17,22-23,26-27H2,1-5H3
InChIKeyXVFKWUFABQBKIF-UHFFFAOYSA-N
MW693.00 g/mol
LogP7.58
Rot. Bonds18

About 7-[2-[[2-[3-(dimethylsulfamoylamino)-4-phenylmethoxyphenyl]-2-triethylsilyloxyethyl]amino]ethoxy]-2,3,4,9-tetrahydro-1H-carbazole

7-[2-[[2-[3-(dimethylsulfamoylamino)-4-phenylmethoxyphenyl]-2-triethylsilyloxyethyl]amino]ethoxy]-2,3,4,9-tetrahydro-1H-carbazole (PubChem CID 22111223) has the molecular formula C37H52N4O5SSi and a molecular weight of 693.00 g/mol. Its IUPAC name is 7-[2-[[2-[3-(dimethylsulfamoylamino)-4-phenylmethoxyphenyl]-2-triethylsilyloxyethyl]amino]ethoxy]-2,3,4,9-tetrahydro-1H-carbazole.

Molecular Properties

Compound Name7-[2-[[2-[3-(dimethylsulfamoylamino)-4-phenylmethoxyphenyl]-2-triethylsilyloxyethyl]amino]ethoxy]-2,3,4,9-tetrahydro-1H-carbazole
PubChem CID22111223
Molecular FormulaC37H52N4O5SSi
Molecular Weight693.00 g/mol
Exact Mass692.34
IUPAC Name7-[2-[[2-[3-(dimethylsulfamoylamino)-4-phenylmethoxyphenyl]-2-triethylsilyloxyethyl]amino]ethoxy]-2,3,4,9-tetrahydro-1H-carbazole
SMILESCC[Si](CC)(CC)OC(CNCCOc1ccc2c3c([nH]c2c1)CCCC3)c1ccc(OCc2ccccc2)c(NS(=O)(=O)N(C)C)c1
InChIInChI=1S/C37H52N4O5SSi/c1-6-48(7-2,8-3)46-37(26-38-22-23-44-30-19-20-32-31-16-12-13-17-33(31)39-34(32)25-30)29-18-21-36(45-27-28-14-10-9-11-15-28)35(24-29)40-47(42,43)41(4)5/h9-11,14-15,18-21,24-25,37-40H,6-8,12-13,16-17,22-23,26-27H2,1-5H3
InChIKeyXVFKWUFABQBKIF-UHFFFAOYSA-N
XLogP7.58
TPSA104.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.00
LogP ≤ 57.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylsulfamoylamino)-4-(2-iodo-1-triethylsilyloxyethyl)-1-phenylmethoxybenzene
CID 18615149
N-[5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-phenylmethoxyethyl]-2-phenylmethoxyphenyl]methanesulfonamide
CID 11734879
3-[2-[[2-[3-(dimethylsulfamoylamino)-4-phenylmethoxyphenyl]-2-hydroxyethyl]amino]ethoxy]dibenzothiophene
CID 18615081
N-[2-chloro-5-[(1R)-2-[2-[(2,3-dimethyl-1H-indol-6-yl)oxy]ethylamino]-1-triethylsilyloxyethyl]phenyl]methanesulfonamide
CID 69348614
1-(3-nitro-4-phenylmethoxyphenyl)-4-(6,7,8,9-tetrahydro-5H-carbazol-2-yloxy)-1-triethylsilyloxybutan-2-amine
CID 70245175
N-[2-fluoro-5-[1-hydroxy-2-[2-(6,7,8,9-tetrahydro-5H-carbazol-2-yloxy)ethylamino]ethyl]phenyl]methanesulfonamide;hydrochloride
CID 22111254
N-[5-[(1R)-2-[[(1R)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]amino]-1-triethylsilyloxyethyl]-2-phenylmethoxyphenyl]methanesulfonamide
CID 18662733
5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-hydroxyethyl]-N,N-dimethyl-2-phenylmethoxybenzenesulfonamide
CID 18615207
N-[2-chloro-5-[2-(2-dibenzofuran-3-yloxyethylamino)-1-triethylsilyloxyethyl]phenyl]methanesulfonamide
CID 18615070
2-[2-(9H-carbazol-2-yloxy)ethylamino]-2-[3-(methylamino)-4-phenylmethoxyphenyl]ethanol
CID 70187925
2-[2-[[2-[3-(dimethylsulfamoylamino)phenyl]-2-hydroxyethyl]amino]ethoxy]-9H-carbazole
CID 18615068
N-[5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-methoxyethyl]-2-chlorophenyl]methanesulfonamide
CID 18615264

Frequently Asked Questions

What is the IUPAC name of 7-[2-[[2-[3-(dimethylsulfamoylamino)-4-phenylmethoxyphenyl]-2-triethylsilyloxyethyl]amino]ethoxy]-2,3,4,9-tetrahydro-1H-carbazole?
The IUPAC name of 7-[2-[[2-[3-(dimethylsulfamoylamino)-4-phenylmethoxyphenyl]-2-triethylsilyloxyethyl]amino]ethoxy]-2,3,4,9-tetrahydro-1H-carbazole (CID 22111223) is 7-[2-[[2-[3-(dimethylsulfamoylamino)-4-phenylmethoxyphenyl]-2-triethylsilyloxyethyl]amino]ethoxy]-2,3,4,9-tetrahydro-1H-carbazole.
What is the SMILES notation for 7-[2-[[2-[3-(dimethylsulfamoylamino)-4-phenylmethoxyphenyl]-2-triethylsilyloxyethyl]amino]ethoxy]-2,3,4,9-tetrahydro-1H-carbazole?
The canonical SMILES for 7-[2-[[2-[3-(dimethylsulfamoylamino)-4-phenylmethoxyphenyl]-2-triethylsilyloxyethyl]amino]ethoxy]-2,3,4,9-tetrahydro-1H-carbazole is CC[Si](CC)(CC)OC(CNCCOc1ccc2c3c([nH]c2c1)CCCC3)c1ccc(OCc2ccccc2)c(NS(=O)(=O)N(C)C)c1.
What is the InChIKey of 7-[2-[[2-[3-(dimethylsulfamoylamino)-4-phenylmethoxyphenyl]-2-triethylsilyloxyethyl]amino]ethoxy]-2,3,4,9-tetrahydro-1H-carbazole?
The InChIKey is XVFKWUFABQBKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H52N4O5SSi/c1-6-48(7-2,8-3)46-37(26-38-22-23-44-30-19-20-32-31-16-12-13-17-33(31)39-34(32)25-30)29-18-21-36(45-27-28-14-10-9-11-15-28)35(24-29)40-47(42,43)41(4)5/h9-11,14-15,18-21,24-25,37-40H,6-8,12-13,16-17,22-23,26-27H2,1-5H3.
What are the key properties of 7-[2-[[2-[3-(dimethylsulfamoylamino)-4-phenylmethoxyphenyl]-2-triethylsilyloxyethyl]amino]ethoxy]-2,3,4,9-tetrahydro-1H-carbazole?
7-[2-[[2-[3-(dimethylsulfamoylamino)-4-phenylmethoxyphenyl]-2-triethylsilyloxyethyl]amino]ethoxy]-2,3,4,9-tetrahydro-1H-carbazole has a molecular weight of 693.00 g/mol, XLogP of 7.58, 18 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[[2-[3-(dimethylsulfamoylamino)-4-phenylmethoxyphenyl]-2-triethylsilyloxyethyl]amino]ethoxy]-2,3,4,9-tetrahydro-1H-carbazole is sourced from PubChem (CID 22111223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).