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

C22H31N3O4S — CID 20958556

IUPACN-(2-ethoxyphenyl)-1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)pyrrole-3-sulfonamide
SMILESCCOc1ccccc1NS(=O)(=O)c1c(C(=O)N2CCC(C)CC2)c(C)n(C)c1C
InChIInChI=1S/C22H31N3O4S/c1-6-29-19-10-8-7-9-18(19)23-30(27,28)21-17(4)24(5)16(3)20(21)22(26)25-13-11-15(2)12-14-25/h7-10,15,23H,6,11-14H2,1-5H3
InChIKeyGRRDIKJJRRZVMY-UHFFFAOYSA-N
MW433.57 g/mol
LogP3.71
Rot. Bonds6

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

N-(2-ethoxyphenyl)-1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)pyrrole-3-sulfonamide (PubChem CID 20958556) has the molecular formula C22H31N3O4S and a molecular weight of 433.57 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)pyrrole-3-sulfonamide
PubChem CID20958556
Molecular FormulaC22H31N3O4S
Molecular Weight433.57 g/mol
Exact Mass433.20
IUPAC NameN-(2-ethoxyphenyl)-1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)pyrrole-3-sulfonamide
SMILESCCOc1ccccc1NS(=O)(=O)c1c(C(=O)N2CCC(C)CC2)c(C)n(C)c1C
InChIInChI=1S/C22H31N3O4S/c1-6-29-19-10-8-7-9-18(19)23-30(27,28)21-17(4)24(5)16(3)20(21)22(26)25-13-11-15(2)12-14-25/h7-10,15,23H,6,11-14H2,1-5H3
InChIKeyGRRDIKJJRRZVMY-UHFFFAOYSA-N
XLogP3.71
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.57
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)pyrrole-3-sulfonamide
CID 20958573
1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)-N-(2-phenylethyl)pyrrole-3-sulfonamide
CID 20958535
N-(2-ethoxyphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945241
1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]pyrrole-3-sulfonamide
CID 20945277
[4-(4-benzylpiperidin-1-yl)sulfonyl-1,2,5-trimethylpyrrol-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 20958540
N-(2,5-difluorophenyl)-1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide
CID 20945274
[2-(2-ethoxyanilino)-2-oxoethyl] 4-methylpiperidine-1-carbodithioate
CID 4687120
N-(3-ethylphenyl)-1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide
CID 20945473
N-[(2-ethoxyphenyl)methyl]-4-(4-methylpiperidine-1-carbonyl)thiophene-2-sulfonamide
CID 50777735
[4-ethoxy-1-[(2-methylphenyl)methyl]indol-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 42667282
ethyl 4-(2-ethoxyanilino)piperidine-1-carboxylate
CID 43758190
ethyl 4-[(2-methoxyphenyl)sulfamoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 53059394

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)pyrrole-3-sulfonamide?
The IUPAC name of N-(2-ethoxyphenyl)-1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)pyrrole-3-sulfonamide (CID 20958556) is N-(2-ethoxyphenyl)-1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)pyrrole-3-sulfonamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)pyrrole-3-sulfonamide?
The canonical SMILES for N-(2-ethoxyphenyl)-1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)pyrrole-3-sulfonamide is CCOc1ccccc1NS(=O)(=O)c1c(C(=O)N2CCC(C)CC2)c(C)n(C)c1C.
What is the InChIKey of N-(2-ethoxyphenyl)-1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)pyrrole-3-sulfonamide?
The InChIKey is GRRDIKJJRRZVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O4S/c1-6-29-19-10-8-7-9-18(19)23-30(27,28)21-17(4)24(5)16(3)20(21)22(26)25-13-11-15(2)12-14-25/h7-10,15,23H,6,11-14H2,1-5H3.
What are the key properties of N-(2-ethoxyphenyl)-1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)pyrrole-3-sulfonamide?
N-(2-ethoxyphenyl)-1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)pyrrole-3-sulfonamide has a molecular weight of 433.57 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 20958556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).