tert-butyl N-methyl-N-[2-[1-methyl-5-(4-methylphenyl)sulfonylindol-3-yl]ethyl]carbamate

C24H30N2O4S — CID 10160583

IUPACtert-butyl N-methyl-N-[2-[1-methyl-5-(4-methylphenyl)sulfonylindol-3-yl]ethyl]carbamate
SMILESCc1ccc(S(=O)(=O)c2ccc3c(c2)c(CCN(C)C(=O)OC(C)(C)C)cn3C)cc1
InChIInChI=1S/C24H30N2O4S/c1-17-7-9-19(10-8-17)31(28,29)20-11-12-22-21(15-20)18(16-26(22)6)13-14-25(5)23(27)30-24(2,3)4/h7-12,15-16H,13-14H2,1-6H3
InChIKeyAYUZIOZSBVBDPY-UHFFFAOYSA-N
MW442.58 g/mol
LogP4.73
Rot. Bonds5

About tert-butyl N-methyl-N-[2-[1-methyl-5-(4-methylphenyl)sulfonylindol-3-yl]ethyl]carbamate

tert-butyl N-methyl-N-[2-[1-methyl-5-(4-methylphenyl)sulfonylindol-3-yl]ethyl]carbamate (PubChem CID 10160583) has the molecular formula C24H30N2O4S and a molecular weight of 442.58 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-[1-methyl-5-(4-methylphenyl)sulfonylindol-3-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-[1-methyl-5-(4-methylphenyl)sulfonylindol-3-yl]ethyl]carbamate
PubChem CID10160583
Molecular FormulaC24H30N2O4S
Molecular Weight442.58 g/mol
Exact Mass442.19
IUPAC Nametert-butyl N-methyl-N-[2-[1-methyl-5-(4-methylphenyl)sulfonylindol-3-yl]ethyl]carbamate
SMILESCc1ccc(S(=O)(=O)c2ccc3c(c2)c(CCN(C)C(=O)OC(C)(C)C)cn3C)cc1
InChIInChI=1S/C24H30N2O4S/c1-17-7-9-19(10-8-17)31(28,29)20-11-12-22-21(15-20)18(16-26(22)6)13-14-25(5)23(27)30-24(2,3)4/h7-12,15-16H,13-14H2,1-6H3
InChIKeyAYUZIOZSBVBDPY-UHFFFAOYSA-N
XLogP4.73
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.58
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-[1-methyl-5-(4-methylphenyl)sulfonylindol-3-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-[1-methyl-5-(4-methylphenyl)sulfonylindol-3-yl]ethyl]carbamate (CID 10160583) is tert-butyl N-methyl-N-[2-[1-methyl-5-(4-methylphenyl)sulfonylindol-3-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-[1-methyl-5-(4-methylphenyl)sulfonylindol-3-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-[1-methyl-5-(4-methylphenyl)sulfonylindol-3-yl]ethyl]carbamate is Cc1ccc(S(=O)(=O)c2ccc3c(c2)c(CCN(C)C(=O)OC(C)(C)C)cn3C)cc1.
What is the InChIKey of tert-butyl N-methyl-N-[2-[1-methyl-5-(4-methylphenyl)sulfonylindol-3-yl]ethyl]carbamate?
The InChIKey is AYUZIOZSBVBDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4S/c1-17-7-9-19(10-8-17)31(28,29)20-11-12-22-21(15-20)18(16-26(22)6)13-14-25(5)23(27)30-24(2,3)4/h7-12,15-16H,13-14H2,1-6H3.
What are the key properties of tert-butyl N-methyl-N-[2-[1-methyl-5-(4-methylphenyl)sulfonylindol-3-yl]ethyl]carbamate?
tert-butyl N-methyl-N-[2-[1-methyl-5-(4-methylphenyl)sulfonylindol-3-yl]ethyl]carbamate has a molecular weight of 442.58 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[2-[1-methyl-5-(4-methylphenyl)sulfonylindol-3-yl]ethyl]carbamate is sourced from PubChem (CID 10160583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).