N-(2-ethoxyphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide

C20H27N3O4S — CID 20945241

IUPACN-(2-ethoxyphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
SMILESCCOc1ccccc1NS(=O)(=O)c1c(C)[nH]c(C)c1C(=O)N1CCCCC1
InChIInChI=1S/C20H27N3O4S/c1-4-27-17-11-7-6-10-16(17)22-28(25,26)19-15(3)21-14(2)18(19)20(24)23-12-8-5-9-13-23/h6-7,10-11,21-22H,4-5,8-9,12-13H2,1-3H3
InChIKeyQLMUPAKZWSTODQ-UHFFFAOYSA-N
MW405.52 g/mol
LogP3.46
Rot. Bonds6

About N-(2-ethoxyphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide

N-(2-ethoxyphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide (PubChem CID 20945241) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
PubChem CID20945241
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC NameN-(2-ethoxyphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
SMILESCCOc1ccccc1NS(=O)(=O)c1c(C)[nH]c(C)c1C(=O)N1CCCCC1
InChIInChI=1S/C20H27N3O4S/c1-4-27-17-11-7-6-10-16(17)22-28(25,26)19-15(3)21-14(2)18(19)20(24)23-12-8-5-9-13-23/h6-7,10-11,21-22H,4-5,8-9,12-13H2,1-3H3
InChIKeyQLMUPAKZWSTODQ-UHFFFAOYSA-N
XLogP3.46
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945185
N-(4-ethoxyphenyl)-2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945074
N-(2,3-dimethylphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945178
2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-sulfonamide
CID 20945037
N-(5-chloro-2-methylphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945171
N-(4-methoxyphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945163
N-(3,5-dimethoxyphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945176
N-(2-ethoxyphenyl)-1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)pyrrole-3-sulfonamide
CID 20958556
2,5-dimethyl-N-[(2-methylphenyl)methyl]-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945265
N-(3-fluoro-4-methylphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945238
ethyl 4-[(2-chlorophenyl)sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 20923398
N-(4-cyanophenyl)-2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 46339455

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-(2-ethoxyphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide (CID 20945241) is N-(2-ethoxyphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide is CCOc1ccccc1NS(=O)(=O)c1c(C)[nH]c(C)c1C(=O)N1CCCCC1.
What is the InChIKey of N-(2-ethoxyphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is QLMUPAKZWSTODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S/c1-4-27-17-11-7-6-10-16(17)22-28(25,26)19-15(3)21-14(2)18(19)20(24)23-12-8-5-9-13-23/h6-7,10-11,21-22H,4-5,8-9,12-13H2,1-3H3.
What are the key properties of N-(2-ethoxyphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
N-(2-ethoxyphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 405.52 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 20945241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).