(2R)-N-ethyl-N-(1H-indol-5-ylmethyl)-2-methylbutane-1-sulfonamide

C16H24N2O2S — CID 124864084

IUPAC(2R)-N-ethyl-N-(1H-indol-5-ylmethyl)-2-methylbutane-1-sulfonamide
SMILESCC[C@@H](C)CS(=O)(=O)N(CC)Cc1ccc2[nH]ccc2c1
InChIInChI=1S/C16H24N2O2S/c1-4-13(3)12-21(19,20)18(5-2)11-14-6-7-16-15(10-14)8-9-17-16/h6-10,13,17H,4-5,11-12H2,1-3H3/t13-/m1/s1
InChIKeyWCIGUEJRKSDALJ-CYBMUJFWSA-N
MW308.45 g/mol
LogP3.37
Rot. Bonds7

About (2R)-N-ethyl-N-(1H-indol-5-ylmethyl)-2-methylbutane-1-sulfonamide

(2R)-N-ethyl-N-(1H-indol-5-ylmethyl)-2-methylbutane-1-sulfonamide (PubChem CID 124864084) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is (2R)-N-ethyl-N-(1H-indol-5-ylmethyl)-2-methylbutane-1-sulfonamide.

Molecular Properties

Compound Name(2R)-N-ethyl-N-(1H-indol-5-ylmethyl)-2-methylbutane-1-sulfonamide
PubChem CID124864084
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name(2R)-N-ethyl-N-(1H-indol-5-ylmethyl)-2-methylbutane-1-sulfonamide
SMILESCC[C@@H](C)CS(=O)(=O)N(CC)Cc1ccc2[nH]ccc2c1
InChIInChI=1S/C16H24N2O2S/c1-4-13(3)12-21(19,20)18(5-2)11-14-6-7-16-15(10-14)8-9-17-16/h6-10,13,17H,4-5,11-12H2,1-3H3/t13-/m1/s1
InChIKeyWCIGUEJRKSDALJ-CYBMUJFWSA-N
XLogP3.37
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[ethyl(1H-indol-5-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 167885299
1,3-bis[ethyl(1H-indol-5-ylmethyl)amino]propan-2-ol
CID 166234381
2-(diethylsulfamoyl)-N-(1H-indol-5-yl)acetamide
CID 71984625
5-butan-2-yl-1H-indole;molecular hydrogen
CID 144711250
1-(1H-indol-5-yl)-4-methylpentan-3-one
CID 22572822
N-(1H-indol-5-ylmethyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 119044837
(2R)-N-(1H-indol-5-ylmethyl)-N-methyl-2-morpholin-4-ylpropan-1-amine
CID 95207377
2-[ethyl-[3-(1H-indol-5-yl)propanoyl]amino]acetic acid
CID 120519645
N-(1H-indol-5-ylmethyl)-N-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 119044757
1H-indol-5-ylmethanesulfonamide;sulfuric acid
CID 67052547
(2R)-N-hydroxy-2-[(4-hydroxyphenyl)sulfonyl-(1H-indol-5-ylmethyl)amino]-4-methylpentanamide
CID 170380856
N-(3-acetamidophenyl)-2-[ethyl(1H-indol-5-ylmethyl)amino]acetamide
CID 119044841

Frequently Asked Questions

What is the IUPAC name of (2R)-N-ethyl-N-(1H-indol-5-ylmethyl)-2-methylbutane-1-sulfonamide?
The IUPAC name of (2R)-N-ethyl-N-(1H-indol-5-ylmethyl)-2-methylbutane-1-sulfonamide (CID 124864084) is (2R)-N-ethyl-N-(1H-indol-5-ylmethyl)-2-methylbutane-1-sulfonamide.
What is the SMILES notation for (2R)-N-ethyl-N-(1H-indol-5-ylmethyl)-2-methylbutane-1-sulfonamide?
The canonical SMILES for (2R)-N-ethyl-N-(1H-indol-5-ylmethyl)-2-methylbutane-1-sulfonamide is CC[C@@H](C)CS(=O)(=O)N(CC)Cc1ccc2[nH]ccc2c1.
What is the InChIKey of (2R)-N-ethyl-N-(1H-indol-5-ylmethyl)-2-methylbutane-1-sulfonamide?
The InChIKey is WCIGUEJRKSDALJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-4-13(3)12-21(19,20)18(5-2)11-14-6-7-16-15(10-14)8-9-17-16/h6-10,13,17H,4-5,11-12H2,1-3H3/t13-/m1/s1.
What are the key properties of (2R)-N-ethyl-N-(1H-indol-5-ylmethyl)-2-methylbutane-1-sulfonamide?
(2R)-N-ethyl-N-(1H-indol-5-ylmethyl)-2-methylbutane-1-sulfonamide has a molecular weight of 308.45 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-ethyl-N-(1H-indol-5-ylmethyl)-2-methylbutane-1-sulfonamide is sourced from PubChem (CID 124864084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).