1-[2-[(2R,5R)-2-(methoxymethyl)-5-methylpiperazin-1-yl]acetyl]-N,3,3-trimethyl-2H-indole-6-sulfonamide

C20H32N4O4S — CID 90232395

IUPAC1-[2-[(2R,5R)-2-(methoxymethyl)-5-methylpiperazin-1-yl]acetyl]-N,3,3-trimethyl-2H-indole-6-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)N(C(=O)CN1C[C@@H](C)NC[C@@H]1COC)CC2(C)C
InChIInChI=1S/C20H32N4O4S/c1-14-10-23(15(9-22-14)12-28-5)11-19(25)24-13-20(2,3)17-7-6-16(8-18(17)24)29(26,27)21-4/h6-8,14-15,21-22H,9-13H2,1-5H3/t14-,15-/m1/s1
InChIKeyHXQIIVPOPMPNIB-HUUCEWRRSA-N
MW424.57 g/mol
LogP0.53
Rot. Bonds6

About 1-[2-[(2R,5R)-2-(methoxymethyl)-5-methylpiperazin-1-yl]acetyl]-N,3,3-trimethyl-2H-indole-6-sulfonamide

1-[2-[(2R,5R)-2-(methoxymethyl)-5-methylpiperazin-1-yl]acetyl]-N,3,3-trimethyl-2H-indole-6-sulfonamide (PubChem CID 90232395) has the molecular formula C20H32N4O4S and a molecular weight of 424.57 g/mol. Its IUPAC name is 1-[2-[(2R,5R)-2-(methoxymethyl)-5-methylpiperazin-1-yl]acetyl]-N,3,3-trimethyl-2H-indole-6-sulfonamide.

Molecular Properties

Compound Name1-[2-[(2R,5R)-2-(methoxymethyl)-5-methylpiperazin-1-yl]acetyl]-N,3,3-trimethyl-2H-indole-6-sulfonamide
PubChem CID90232395
Molecular FormulaC20H32N4O4S
Molecular Weight424.57 g/mol
Exact Mass424.21
IUPAC Name1-[2-[(2R,5R)-2-(methoxymethyl)-5-methylpiperazin-1-yl]acetyl]-N,3,3-trimethyl-2H-indole-6-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)N(C(=O)CN1C[C@@H](C)NC[C@@H]1COC)CC2(C)C
InChIInChI=1S/C20H32N4O4S/c1-14-10-23(15(9-22-14)12-28-5)11-19(25)24-13-20(2,3)17-7-6-16(8-18(17)24)29(26,27)21-4/h6-8,14-15,21-22H,9-13H2,1-5H3/t14-,15-/m1/s1
InChIKeyHXQIIVPOPMPNIB-HUUCEWRRSA-N
XLogP0.53
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(2R,5R)-2-(methoxymethyl)-5-methylpiperazin-1-yl]acetyl]-N,3,3-trimethyl-2H-indole-6-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R,5R)-2-(methoxymethyl)-5-methylpiperazin-1-yl]acetyl]-N,3,3-trimethyl-2H-indole-6-sulfonamide?
The IUPAC name of 1-[2-[(2R,5R)-2-(methoxymethyl)-5-methylpiperazin-1-yl]acetyl]-N,3,3-trimethyl-2H-indole-6-sulfonamide (CID 90232395) is 1-[2-[(2R,5R)-2-(methoxymethyl)-5-methylpiperazin-1-yl]acetyl]-N,3,3-trimethyl-2H-indole-6-sulfonamide.
What is the SMILES notation for 1-[2-[(2R,5R)-2-(methoxymethyl)-5-methylpiperazin-1-yl]acetyl]-N,3,3-trimethyl-2H-indole-6-sulfonamide?
The canonical SMILES for 1-[2-[(2R,5R)-2-(methoxymethyl)-5-methylpiperazin-1-yl]acetyl]-N,3,3-trimethyl-2H-indole-6-sulfonamide is CNS(=O)(=O)c1ccc2c(c1)N(C(=O)CN1C[C@@H](C)NC[C@@H]1COC)CC2(C)C.
What is the InChIKey of 1-[2-[(2R,5R)-2-(methoxymethyl)-5-methylpiperazin-1-yl]acetyl]-N,3,3-trimethyl-2H-indole-6-sulfonamide?
The InChIKey is HXQIIVPOPMPNIB-HUUCEWRRSA-N. The full InChI is InChI=1S/C20H32N4O4S/c1-14-10-23(15(9-22-14)12-28-5)11-19(25)24-13-20(2,3)17-7-6-16(8-18(17)24)29(26,27)21-4/h6-8,14-15,21-22H,9-13H2,1-5H3/t14-,15-/m1/s1.
What are the key properties of 1-[2-[(2R,5R)-2-(methoxymethyl)-5-methylpiperazin-1-yl]acetyl]-N,3,3-trimethyl-2H-indole-6-sulfonamide?
1-[2-[(2R,5R)-2-(methoxymethyl)-5-methylpiperazin-1-yl]acetyl]-N,3,3-trimethyl-2H-indole-6-sulfonamide has a molecular weight of 424.57 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R,5R)-2-(methoxymethyl)-5-methylpiperazin-1-yl]acetyl]-N,3,3-trimethyl-2H-indole-6-sulfonamide is sourced from PubChem (CID 90232395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).