N,N-dimethyl-2-[1-(2-methylpropyl)-6-phenylindol-3-yl]ethanesulfonamide

C22H28N2O2S — CID 169304847

IUPACN,N-dimethyl-2-[1-(2-methylpropyl)-6-phenylindol-3-yl]ethanesulfonamide
SMILESCC(C)Cn1cc(CCS(=O)(=O)N(C)C)c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C22H28N2O2S/c1-17(2)15-24-16-20(12-13-27(25,26)23(3)4)21-11-10-19(14-22(21)24)18-8-6-5-7-9-18/h5-11,14,16-17H,12-13,15H2,1-4H3
InChIKeyQPWXEYUJBNUEOQ-UHFFFAOYSA-N
MW384.55 g/mol
LogP4.40
Rot. Bonds7

About N,N-dimethyl-2-[1-(2-methylpropyl)-6-phenylindol-3-yl]ethanesulfonamide

N,N-dimethyl-2-[1-(2-methylpropyl)-6-phenylindol-3-yl]ethanesulfonamide (PubChem CID 169304847) has the molecular formula C22H28N2O2S and a molecular weight of 384.55 g/mol. Its IUPAC name is N,N-dimethyl-2-[1-(2-methylpropyl)-6-phenylindol-3-yl]ethanesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[1-(2-methylpropyl)-6-phenylindol-3-yl]ethanesulfonamide
PubChem CID169304847
Molecular FormulaC22H28N2O2S
Molecular Weight384.55 g/mol
Exact Mass384.19
IUPAC NameN,N-dimethyl-2-[1-(2-methylpropyl)-6-phenylindol-3-yl]ethanesulfonamide
SMILESCC(C)Cn1cc(CCS(=O)(=O)N(C)C)c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C22H28N2O2S/c1-17(2)15-24-16-20(12-13-27(25,26)23(3)4)21-11-10-19(14-22(21)24)18-8-6-5-7-9-18/h5-11,14,16-17H,12-13,15H2,1-4H3
InChIKeyQPWXEYUJBNUEOQ-UHFFFAOYSA-N
XLogP4.40
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[1-(2-methylpropyl)-6-phenylindol-3-yl]ethanesulfonamide?
The IUPAC name of N,N-dimethyl-2-[1-(2-methylpropyl)-6-phenylindol-3-yl]ethanesulfonamide (CID 169304847) is N,N-dimethyl-2-[1-(2-methylpropyl)-6-phenylindol-3-yl]ethanesulfonamide.
What is the SMILES notation for N,N-dimethyl-2-[1-(2-methylpropyl)-6-phenylindol-3-yl]ethanesulfonamide?
The canonical SMILES for N,N-dimethyl-2-[1-(2-methylpropyl)-6-phenylindol-3-yl]ethanesulfonamide is CC(C)Cn1cc(CCS(=O)(=O)N(C)C)c2ccc(-c3ccccc3)cc21.
What is the InChIKey of N,N-dimethyl-2-[1-(2-methylpropyl)-6-phenylindol-3-yl]ethanesulfonamide?
The InChIKey is QPWXEYUJBNUEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2S/c1-17(2)15-24-16-20(12-13-27(25,26)23(3)4)21-11-10-19(14-22(21)24)18-8-6-5-7-9-18/h5-11,14,16-17H,12-13,15H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[1-(2-methylpropyl)-6-phenylindol-3-yl]ethanesulfonamide?
N,N-dimethyl-2-[1-(2-methylpropyl)-6-phenylindol-3-yl]ethanesulfonamide has a molecular weight of 384.55 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[1-(2-methylpropyl)-6-phenylindol-3-yl]ethanesulfonamide is sourced from PubChem (CID 169304847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).