benzyl N-[2-[5-(methylsulfamoylmethyl)-1H-indol-3-yl]ethyl]carbamate

C20H23N3O4S — CID 14555103

IUPACbenzyl N-[2-[5-(methylsulfamoylmethyl)-1H-indol-3-yl]ethyl]carbamate
SMILESCNS(=O)(=O)Cc1ccc2[nH]cc(CCNC(=O)OCc3ccccc3)c2c1
InChIInChI=1S/C20H23N3O4S/c1-21-28(25,26)14-16-7-8-19-18(11-16)17(12-23-19)9-10-22-20(24)27-13-15-5-3-2-4-6-15/h2-8,11-12,21,23H,9-10,13-14H2,1H3,(H,22,24)
InChIKeyVOLRRLCBILHOEK-UHFFFAOYSA-N
MW401.49 g/mol
LogP2.69
Rot. Bonds8

About benzyl N-[2-[5-(methylsulfamoylmethyl)-1H-indol-3-yl]ethyl]carbamate

benzyl N-[2-[5-(methylsulfamoylmethyl)-1H-indol-3-yl]ethyl]carbamate (PubChem CID 14555103) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is benzyl N-[2-[5-(methylsulfamoylmethyl)-1H-indol-3-yl]ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[5-(methylsulfamoylmethyl)-1H-indol-3-yl]ethyl]carbamate
PubChem CID14555103
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Namebenzyl N-[2-[5-(methylsulfamoylmethyl)-1H-indol-3-yl]ethyl]carbamate
SMILESCNS(=O)(=O)Cc1ccc2[nH]cc(CCNC(=O)OCc3ccccc3)c2c1
InChIInChI=1S/C20H23N3O4S/c1-21-28(25,26)14-16-7-8-19-18(11-16)17(12-23-19)9-10-22-20(24)27-13-15-5-3-2-4-6-15/h2-8,11-12,21,23H,9-10,13-14H2,1H3,(H,22,24)
InChIKeyVOLRRLCBILHOEK-UHFFFAOYSA-N
XLogP2.69
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(phenylmethoxycarbonylamino)ethyl]-1H-indole-5-sulfonic acid
CID 163199434
benzyl N-[2-(5-sulfooxy-1H-indol-3-yl)ethyl]carbamate
CID 71313888
N-methyl-1-[3-[2-(methylamino)ethyl]-1H-indol-5-yl]methanesulfonamide
CID 10826690
benzyl N-[2-[5-(propan-2-ylcarbamoyl)-1H-indol-3-yl]ethyl]carbamate
CID 131712085
1-[3-(3-hydroxypropyl)-1H-indol-5-yl]-N-methylmethanesulfonamide
CID 10660550
(3-methylphenyl)methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate
CID 6734996
benzyl N-[2-(methylsulfamoyl)ethyl]carbamate
CID 110292911
1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-[[3-(methylsulfamoylmethyl)phenyl]methyl]guanidine
CID 110996215
1-[3-(2-aminoethyl)-1H-indol-5-yl]-N-(2-phenylethyl)methanesulfonamide;hydrochloride
CID 13286067
bis(1-[3-[2-[bis(trideuteriomethyl)amino]ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide);butanedioic acid
CID 131873425
butyl N-[2-[5-[(dimethylamino)methyl]-1H-indol-3-yl]ethyl]carbamate
CID 139908727
2-(3-methoxyphenyl)ethyl N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate
CID 6733827

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[5-(methylsulfamoylmethyl)-1H-indol-3-yl]ethyl]carbamate?
The IUPAC name of benzyl N-[2-[5-(methylsulfamoylmethyl)-1H-indol-3-yl]ethyl]carbamate (CID 14555103) is benzyl N-[2-[5-(methylsulfamoylmethyl)-1H-indol-3-yl]ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[5-(methylsulfamoylmethyl)-1H-indol-3-yl]ethyl]carbamate?
The canonical SMILES for benzyl N-[2-[5-(methylsulfamoylmethyl)-1H-indol-3-yl]ethyl]carbamate is CNS(=O)(=O)Cc1ccc2[nH]cc(CCNC(=O)OCc3ccccc3)c2c1.
What is the InChIKey of benzyl N-[2-[5-(methylsulfamoylmethyl)-1H-indol-3-yl]ethyl]carbamate?
The InChIKey is VOLRRLCBILHOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-21-28(25,26)14-16-7-8-19-18(11-16)17(12-23-19)9-10-22-20(24)27-13-15-5-3-2-4-6-15/h2-8,11-12,21,23H,9-10,13-14H2,1H3,(H,22,24).
What are the key properties of benzyl N-[2-[5-(methylsulfamoylmethyl)-1H-indol-3-yl]ethyl]carbamate?
benzyl N-[2-[5-(methylsulfamoylmethyl)-1H-indol-3-yl]ethyl]carbamate has a molecular weight of 401.49 g/mol, XLogP of 2.69, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[5-(methylsulfamoylmethyl)-1H-indol-3-yl]ethyl]carbamate is sourced from PubChem (CID 14555103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).