N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]propane-1-sulfonamide

C16H24N2O3S — CID 113084400

IUPACN-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(C)(C)c1c[nH]c2ccc(OC)cc12
InChIInChI=1S/C16H24N2O3S/c1-5-8-22(19,20)18-11-16(2,3)14-10-17-15-7-6-12(21-4)9-13(14)15/h6-7,9-10,17-18H,5,8,11H2,1-4H3
InChIKeyYUHRSBCVLHXQMG-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.78
Rot. Bonds7

About N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]propane-1-sulfonamide

N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]propane-1-sulfonamide (PubChem CID 113084400) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]propane-1-sulfonamide
PubChem CID113084400
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(C)(C)c1c[nH]c2ccc(OC)cc12
InChIInChI=1S/C16H24N2O3S/c1-5-8-22(19,20)18-11-16(2,3)14-10-17-15-7-6-12(21-4)9-13(14)15/h6-7,9-10,17-18H,5,8,11H2,1-4H3
InChIKeyYUHRSBCVLHXQMG-UHFFFAOYSA-N
XLogP2.78
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-3-(2-methylbutan-2-yl)-1H-indole
CID 106985577
N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]propane-1-sulfonamide
CID 113084493
3-(5-methoxy-1H-indol-3-yl)-3-methylbutan-1-amine
CID 84627056
N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide
CID 113084367
N-[2-(1H-indol-3-yl)-2-methylpropyl]-2,4-dimethoxybenzenesulfonamide
CID 113084136
N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]benzamide
CID 113084348
N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]cyclopropanecarboxamide
CID 113084339
N-[2-(6-chloro-1H-indol-3-yl)-2-methylpropyl]butane-1-sulfonamide
CID 113084580
N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]-3-phenoxypropanamide
CID 113084371
[2,2-difluoro-2-(5-methoxy-1H-indol-3-yl)ethyl]azanium chloride
CID 11076269
2,2-difluoro-2-(5-methoxy-1H-indol-3-yl)ethanamine;hydrochloride
CID 73424996
N-cyclopentyl-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide
CID 113210132

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]propane-1-sulfonamide?
The IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]propane-1-sulfonamide (CID 113084400) is N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]propane-1-sulfonamide is CCCS(=O)(=O)NCC(C)(C)c1c[nH]c2ccc(OC)cc12.
What is the InChIKey of N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]propane-1-sulfonamide?
The InChIKey is YUHRSBCVLHXQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-5-8-22(19,20)18-11-16(2,3)14-10-17-15-7-6-12(21-4)9-13(14)15/h6-7,9-10,17-18H,5,8,11H2,1-4H3.
What are the key properties of N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]propane-1-sulfonamide?
N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]propane-1-sulfonamide has a molecular weight of 324.45 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]propane-1-sulfonamide is sourced from PubChem (CID 113084400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).