tert-butyl 4-[[2-[2-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]acetyl]-1-methylindol-7-yl]methyl]piperidine-1-carboxylate

C34H47N3O6S — CID 58608272

IUPACtert-butyl 4-[[2-[2-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]acetyl]-1-methylindol-7-yl]methyl]piperidine-1-carboxylate
SMILESCOc1c(CC(=O)c2cc3cccc(CC4CCN(C(=O)OC(C)(C)C)CC4)c3n2C)cc(C(C)(C)C)cc1NS(C)(=O)=O
InChIInChI=1S/C34H47N3O6S/c1-33(2,3)26-18-25(31(42-8)27(21-26)35-44(9,40)41)20-29(38)28-19-24-12-10-11-23(30(24)36(28)7)17-22-13-15-37(16-14-22)32(39)43-34(4,5)6/h10-12,18-19,21-22,35H,13-17,20H2,1-9H3
InChIKeyJGUOLUTVDIEXHM-UHFFFAOYSA-N
MW625.83 g/mol
LogP6.47
Rot. Bonds8

About tert-butyl 4-[[2-[2-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]acetyl]-1-methylindol-7-yl]methyl]piperidine-1-carboxylate

tert-butyl 4-[[2-[2-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]acetyl]-1-methylindol-7-yl]methyl]piperidine-1-carboxylate (PubChem CID 58608272) has the molecular formula C34H47N3O6S and a molecular weight of 625.83 g/mol. Its IUPAC name is tert-butyl 4-[[2-[2-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]acetyl]-1-methylindol-7-yl]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[2-[2-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]acetyl]-1-methylindol-7-yl]methyl]piperidine-1-carboxylate
PubChem CID58608272
Molecular FormulaC34H47N3O6S
Molecular Weight625.83 g/mol
Exact Mass625.32
IUPAC Nametert-butyl 4-[[2-[2-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]acetyl]-1-methylindol-7-yl]methyl]piperidine-1-carboxylate
SMILESCOc1c(CC(=O)c2cc3cccc(CC4CCN(C(=O)OC(C)(C)C)CC4)c3n2C)cc(C(C)(C)C)cc1NS(C)(=O)=O
InChIInChI=1S/C34H47N3O6S/c1-33(2,3)26-18-25(31(42-8)27(21-26)35-44(9,40)41)20-29(38)28-19-24-12-10-11-23(30(24)36(28)7)17-22-13-15-37(16-14-22)32(39)43-34(4,5)6/h10-12,18-19,21-22,35H,13-17,20H2,1-9H3
InChIKeyJGUOLUTVDIEXHM-UHFFFAOYSA-N
XLogP6.47
TPSA106.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.83
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[[2-[2-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]acetyl]-1-methylindol-7-yl]methyl]piperidine-1-carboxylate 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

tert-butyl (1R,4R)-5-[[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-methylindol-7-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 11534704
[1-methyl-7-(piperidin-4-ylmethyl)indol-2-yl] N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamate
CID 91100860
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-1-methyl-7-[[4-(1-methylazetidine-2-carbonyl)piperazin-1-yl]methyl]indole-2-carboxamide
CID 46190370
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-1-methyl-7-[[4-(2-pyrrolidin-1-ylpropanoyl)piperazin-1-yl]methyl]indole-2-carboxamide
CID 46190417
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-7-(3-hydroxypiperidine-1-carbonyl)-1-methylindole-2-carboxamide
CID 58608287
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-7-(dihydroxyamino)-1-methylindole-2-carboxamide
CID 89175219
tert-butyl 4-[(3-tert-butylphenyl)methyl]piperidine-1-carboxylate
CID 10735287
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-7-ethenyl-1-methylindole-2-carboxamide
CID 89220307
[1-methyl-7-[[4-[2-(4-propan-2-ylpiperazin-1-yl)acetyl]piperazin-1-yl]methyl]indol-2-yl] N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamate
CID 66769017
7-(azepan-4-ylmethyl)-N-[5-tert-butyl-2-methoxy-3-(methylsulfanylamino)phenyl]-1-methylindole-2-carboxamide
CID 91154168
tert-butyl 3-[4-[1-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1H-indol-7-yl]ethyl]piperazine-1-carbonyl]azetidine-1-carboxylate
CID 66985896
N-[3-[(4-butan-2-ylpiperidin-1-yl)methyl]-5-tert-butyl-2-methoxyphenyl]-1-methyl-7-[[4-[(2S)-1-methylpyrrolidine-2-carbonyl]piperazin-1-yl]methyl]indole-2-carboxamide
CID 143951422

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[2-[2-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]acetyl]-1-methylindol-7-yl]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[2-[2-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]acetyl]-1-methylindol-7-yl]methyl]piperidine-1-carboxylate (CID 58608272) is tert-butyl 4-[[2-[2-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]acetyl]-1-methylindol-7-yl]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[2-[2-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]acetyl]-1-methylindol-7-yl]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[2-[2-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]acetyl]-1-methylindol-7-yl]methyl]piperidine-1-carboxylate is COc1c(CC(=O)c2cc3cccc(CC4CCN(C(=O)OC(C)(C)C)CC4)c3n2C)cc(C(C)(C)C)cc1NS(C)(=O)=O.
What is the InChIKey of tert-butyl 4-[[2-[2-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]acetyl]-1-methylindol-7-yl]methyl]piperidine-1-carboxylate?
The InChIKey is JGUOLUTVDIEXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H47N3O6S/c1-33(2,3)26-18-25(31(42-8)27(21-26)35-44(9,40)41)20-29(38)28-19-24-12-10-11-23(30(24)36(28)7)17-22-13-15-37(16-14-22)32(39)43-34(4,5)6/h10-12,18-19,21-22,35H,13-17,20H2,1-9H3.
What are the key properties of tert-butyl 4-[[2-[2-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]acetyl]-1-methylindol-7-yl]methyl]piperidine-1-carboxylate?
tert-butyl 4-[[2-[2-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]acetyl]-1-methylindol-7-yl]methyl]piperidine-1-carboxylate has a molecular weight of 625.83 g/mol, XLogP of 6.47, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[2-[2-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]acetyl]-1-methylindol-7-yl]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 58608272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).