methyl N-[[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]methyl]carbamate

C19H20N2O5S — CID 11538315

IUPACmethyl N-[[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]methyl]carbamate
SMILESCOC(=O)NCc1cn(S(=O)(=O)c2ccc(C)cc2)c2ccc(OC)cc12
InChIInChI=1S/C19H20N2O5S/c1-13-4-7-16(8-5-13)27(23,24)21-12-14(11-20-19(22)26-3)17-10-15(25-2)6-9-18(17)21/h4-10,12H,11H2,1-3H3,(H,20,22)
InChIKeyMFSWLJPGKFVNSR-UHFFFAOYSA-N
MW388.45 g/mol
LogP3.05
Rot. Bonds5

About methyl N-[[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]methyl]carbamate

methyl N-[[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]methyl]carbamate (PubChem CID 11538315) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is methyl N-[[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]methyl]carbamate
PubChem CID11538315
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC Namemethyl N-[[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]methyl]carbamate
SMILESCOC(=O)NCc1cn(S(=O)(=O)c2ccc(C)cc2)c2ccc(OC)cc12
InChIInChI=1S/C19H20N2O5S/c1-13-4-7-16(8-5-13)27(23,24)21-12-14(11-20-19(22)26-3)17-10-15(25-2)6-9-18(17)21/h4-10,12H,11H2,1-3H3,(H,20,22)
InChIKeyMFSWLJPGKFVNSR-UHFFFAOYSA-N
XLogP3.05
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine;hydrochloride
CID 21258548
3-iodo-5-methoxy-1-(4-methylphenyl)sulfonylindole
CID 11339335
5-methoxy-1-(4-methylphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 10024749
N-[(2S)-2-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]propyl]acetamide
CID 125463928
5-methoxy-1-(4-methylphenyl)sulfonylindole-3-carbaldehyde
CID 14403889
5-ethoxy-3-ethyl-1-(4-methylphenyl)sulfonylindole
CID 143660405
methyl 3-[1-(4-chlorophenyl)sulfonyl-5-methoxyindol-3-yl]propanoate
CID 18450017
methyl 3-[1-[4-(iodomethyl)phenyl]sulfonyl-5-methoxyindol-3-yl]propanoate
CID 89345094
2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]ethanol
CID 21258558
3-[1-[dihydroxy-(4-methylphenyl)-λ4-sulfanyl]-5-methoxyindol-3-yl]propanoic acid
CID 58843122
3-[1-(4-ethoxyphenyl)sulfonyl-5-methoxyindol-3-yl]propanoic acid
CID 71213005
3-[1-(3,4-dimethylphenyl)sulfonyl-5-methoxyindol-3-yl]propanoic acid
CID 142993192

Frequently Asked Questions

What is the IUPAC name of methyl N-[[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]methyl]carbamate?
The IUPAC name of methyl N-[[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]methyl]carbamate (CID 11538315) is methyl N-[[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]methyl]carbamate.
What is the SMILES notation for methyl N-[[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]methyl]carbamate?
The canonical SMILES for methyl N-[[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]methyl]carbamate is COC(=O)NCc1cn(S(=O)(=O)c2ccc(C)cc2)c2ccc(OC)cc12.
What is the InChIKey of methyl N-[[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]methyl]carbamate?
The InChIKey is MFSWLJPGKFVNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-13-4-7-16(8-5-13)27(23,24)21-12-14(11-20-19(22)26-3)17-10-15(25-2)6-9-18(17)21/h4-10,12H,11H2,1-3H3,(H,20,22).
What are the key properties of methyl N-[[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]methyl]carbamate?
methyl N-[[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]methyl]carbamate has a molecular weight of 388.45 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]methyl]carbamate is sourced from PubChem (CID 11538315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).