[1-methyl-7-(piperidin-4-ylmethyl)indol-2-yl] N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamate

C28H38N4O5S — CID 91100860

IUPAC[1-methyl-7-(piperidin-4-ylmethyl)indol-2-yl] N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamate
SMILESCOc1c(NC(=O)Oc2cc3cccc(CC4CCNCC4)c3n2C)cc(C(C)(C)C)cc1NS(C)(=O)=O
InChIInChI=1S/C28H38N4O5S/c1-28(2,3)21-16-22(26(36-5)23(17-21)31-38(6,34)35)30-27(33)37-24-15-20-9-7-8-19(25(20)32(24)4)14-18-10-12-29-13-11-18/h7-9,15-18,29,31H,10-14H2,1-6H3,(H,30,33)
InChIKeyPXRNUIIGQJAADZ-UHFFFAOYSA-N
MW542.70 g/mol
LogP5.01
Rot. Bonds7

About [1-methyl-7-(piperidin-4-ylmethyl)indol-2-yl] N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamate

[1-methyl-7-(piperidin-4-ylmethyl)indol-2-yl] N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamate (PubChem CID 91100860) has the molecular formula C28H38N4O5S and a molecular weight of 542.70 g/mol. Its IUPAC name is [1-methyl-7-(piperidin-4-ylmethyl)indol-2-yl] N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamate.

Molecular Properties

Compound Name[1-methyl-7-(piperidin-4-ylmethyl)indol-2-yl] N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamate
PubChem CID91100860
Molecular FormulaC28H38N4O5S
Molecular Weight542.70 g/mol
Exact Mass542.26
IUPAC Name[1-methyl-7-(piperidin-4-ylmethyl)indol-2-yl] N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamate
SMILESCOc1c(NC(=O)Oc2cc3cccc(CC4CCNCC4)c3n2C)cc(C(C)(C)C)cc1NS(C)(=O)=O
InChIInChI=1S/C28H38N4O5S/c1-28(2,3)21-16-22(26(36-5)23(17-21)31-38(6,34)35)30-27(33)37-24-15-20-9-7-8-19(25(20)32(24)4)14-18-10-12-29-13-11-18/h7-9,15-18,29,31H,10-14H2,1-6H3,(H,30,33)
InChIKeyPXRNUIIGQJAADZ-UHFFFAOYSA-N
XLogP5.01
TPSA110.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.70
LogP ≤ 55.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [1-methyl-7-(piperidin-4-ylmethyl)indol-2-yl] N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamate 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

[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
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-1-methyl-7-[[4-[(3S)-pyrrolidine-3-carbonyl]piperazin-1-yl]methyl]indole-2-carboxamide
CID 58493941
7-(azepan-4-ylmethyl)-N-[5-tert-butyl-2-methoxy-3-(methylsulfanylamino)phenyl]-1-methylindole-2-carboxamide
CID 91154168
methyl 1-[[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-methylindol-7-yl]methyl]pyrrolidine-3-carboxylate
CID 58608295
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
tert-butyl 4-[[2-[2-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]acetyl]-1-methylindol-7-yl]methyl]piperidine-1-carboxylate
CID 58608272
[1-methyl-7-[[4-[(2S)-1-methylpyrrolidine-2-carbonyl]piperazin-1-yl]methyl]indol-2-yl] N-(5-tert-butyl-3-formyl-2-methoxyphenyl)carbamate
CID 87142181
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
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-7-[[4-(2,6-difluorobenzoyl)piperazin-1-yl]methyl]-1-methylindole-2-carboxamide
CID 58608283
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-(dihydroxyamino)-1-methylindole-2-carboxamide
CID 89175219
N-[3-(methanesulfonamido)-2-methoxy-5-(2-methylpropyl)phenyl]-1-methyl-7-(piperazin-1-ylmethyl)indole-2-carboxamide
CID 58493950

Frequently Asked Questions

What is the IUPAC name of [1-methyl-7-(piperidin-4-ylmethyl)indol-2-yl] N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamate?
The IUPAC name of [1-methyl-7-(piperidin-4-ylmethyl)indol-2-yl] N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamate (CID 91100860) is [1-methyl-7-(piperidin-4-ylmethyl)indol-2-yl] N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamate.
What is the SMILES notation for [1-methyl-7-(piperidin-4-ylmethyl)indol-2-yl] N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamate?
The canonical SMILES for [1-methyl-7-(piperidin-4-ylmethyl)indol-2-yl] N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamate is COc1c(NC(=O)Oc2cc3cccc(CC4CCNCC4)c3n2C)cc(C(C)(C)C)cc1NS(C)(=O)=O.
What is the InChIKey of [1-methyl-7-(piperidin-4-ylmethyl)indol-2-yl] N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamate?
The InChIKey is PXRNUIIGQJAADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O5S/c1-28(2,3)21-16-22(26(36-5)23(17-21)31-38(6,34)35)30-27(33)37-24-15-20-9-7-8-19(25(20)32(24)4)14-18-10-12-29-13-11-18/h7-9,15-18,29,31H,10-14H2,1-6H3,(H,30,33).
What are the key properties of [1-methyl-7-(piperidin-4-ylmethyl)indol-2-yl] N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamate?
[1-methyl-7-(piperidin-4-ylmethyl)indol-2-yl] N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamate has a molecular weight of 542.70 g/mol, XLogP of 5.01, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-7-(piperidin-4-ylmethyl)indol-2-yl] N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamate is sourced from PubChem (CID 91100860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).