1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)-N-(2-phenylethyl)pyrrole-3-sulfonamide

C22H31N3O3S — CID 20958535

IUPAC1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)-N-(2-phenylethyl)pyrrole-3-sulfonamide
SMILESCc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)NCCc2ccccc2)c(C)n1C
InChIInChI=1S/C22H31N3O3S/c1-16-11-14-25(15-12-16)22(26)20-17(2)24(4)18(3)21(20)29(27,28)23-13-10-19-8-6-5-7-9-19/h5-9,16,23H,10-15H2,1-4H3
InChIKeyFEQXMWVGGALKHF-UHFFFAOYSA-N
MW417.58 g/mol
LogP3.04
Rot. Bonds6

About 1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)-N-(2-phenylethyl)pyrrole-3-sulfonamide

1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)-N-(2-phenylethyl)pyrrole-3-sulfonamide (PubChem CID 20958535) has the molecular formula C22H31N3O3S and a molecular weight of 417.58 g/mol. Its IUPAC name is 1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)-N-(2-phenylethyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)-N-(2-phenylethyl)pyrrole-3-sulfonamide
PubChem CID20958535
Molecular FormulaC22H31N3O3S
Molecular Weight417.58 g/mol
Exact Mass417.21
IUPAC Name1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)-N-(2-phenylethyl)pyrrole-3-sulfonamide
SMILESCc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)NCCc2ccccc2)c(C)n1C
InChIInChI=1S/C22H31N3O3S/c1-16-11-14-25(15-12-16)22(26)20-17(2)24(4)18(3)21(20)29(27,28)23-13-10-19-8-6-5-7-9-19/h5-9,16,23H,10-15H2,1-4H3
InChIKeyFEQXMWVGGALKHF-UHFFFAOYSA-N
XLogP3.04
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.58
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-benzylpiperidin-1-yl)sulfonyl-1,2,5-trimethylpyrrol-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 20958540
N-[(2-ethoxyphenyl)methyl]-1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)pyrrole-3-sulfonamide
CID 20958573
N-(2-ethoxyphenyl)-1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)pyrrole-3-sulfonamide
CID 20958556
N-[(4-methoxyphenyl)methyl]-1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide
CID 20945312
N-(3-ethylphenyl)-1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide
CID 20945473
N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 2537450
(2,6-dimethylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 142823511
N',4-dimethyl-N-(2-phenylethyl)piperidine-1-carboximidamide
CID 111211565
N-[2-(benzenesulfonamido)ethyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111211789
1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]pyrrole-3-sulfonamide
CID 20945277
ethyl 1,2,5-trimethyl-4-(2-thiophen-2-ylethylsulfamoyl)pyrrole-3-carboxylate
CID 20927359
1-(4-methylpiperidin-1-yl)-4-phenylbutan-1-one
CID 1122148

Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)-N-(2-phenylethyl)pyrrole-3-sulfonamide?
The IUPAC name of 1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)-N-(2-phenylethyl)pyrrole-3-sulfonamide (CID 20958535) is 1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)-N-(2-phenylethyl)pyrrole-3-sulfonamide.
What is the SMILES notation for 1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)-N-(2-phenylethyl)pyrrole-3-sulfonamide?
The canonical SMILES for 1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)-N-(2-phenylethyl)pyrrole-3-sulfonamide is Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)NCCc2ccccc2)c(C)n1C.
What is the InChIKey of 1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)-N-(2-phenylethyl)pyrrole-3-sulfonamide?
The InChIKey is FEQXMWVGGALKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3S/c1-16-11-14-25(15-12-16)22(26)20-17(2)24(4)18(3)21(20)29(27,28)23-13-10-19-8-6-5-7-9-19/h5-9,16,23H,10-15H2,1-4H3.
What are the key properties of 1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)-N-(2-phenylethyl)pyrrole-3-sulfonamide?
1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)-N-(2-phenylethyl)pyrrole-3-sulfonamide has a molecular weight of 417.58 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)-N-(2-phenylethyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 20958535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).