N-[(4-ethoxy-3-methoxyphenyl)methyl]-1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide

C23H33N3O5S — CID 20945519

IUPACN-[(4-ethoxy-3-methoxyphenyl)methyl]-1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide
SMILESCCOc1ccc(CNS(=O)(=O)c2c(C(=O)N3CCCCC3)c(C)n(C)c2C)cc1OC
InChIInChI=1S/C23H33N3O5S/c1-6-31-19-11-10-18(14-20(19)30-5)15-24-32(28,29)22-17(3)25(4)16(2)21(22)23(27)26-12-8-7-9-13-26/h10-11,14,24H,6-9,12-13,15H2,1-5H3
InChIKeyASEDQICHPZURKT-UHFFFAOYSA-N
MW463.60 g/mol
LogP3.15
Rot. Bonds8

About N-[(4-ethoxy-3-methoxyphenyl)methyl]-1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide

N-[(4-ethoxy-3-methoxyphenyl)methyl]-1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide (PubChem CID 20945519) has the molecular formula C23H33N3O5S and a molecular weight of 463.60 g/mol. Its IUPAC name is N-[(4-ethoxy-3-methoxyphenyl)methyl]-1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide
PubChem CID20945519
Molecular FormulaC23H33N3O5S
Molecular Weight463.60 g/mol
Exact Mass463.21
IUPAC NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide
SMILESCCOc1ccc(CNS(=O)(=O)c2c(C(=O)N3CCCCC3)c(C)n(C)c2C)cc1OC
InChIInChI=1S/C23H33N3O5S/c1-6-31-19-11-10-18(14-20(19)30-5)15-24-32(28,29)22-17(3)25(4)16(2)21(22)23(27)26-12-8-7-9-13-26/h10-11,14,24H,6-9,12-13,15H2,1-5H3
InChIKeyASEDQICHPZURKT-UHFFFAOYSA-N
XLogP3.15
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.60
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide
CID 20945312
4-(azepane-1-carbonyl)-1,2,5-trimethyl-N-[(4-methylphenyl)methyl]pyrrole-3-sulfonamide
CID 20945650
4-(azepane-1-carbonyl)-N-(3,4-dimethoxyphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide
CID 20945618
N-[(2-ethoxyphenyl)methyl]-1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)pyrrole-3-sulfonamide
CID 20958573
N-(5-chloro-2-methoxyphenyl)-1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide
CID 20945354
4-(azepane-1-carbonyl)-N-[(2R)-butan-2-yl]-1,2,5-trimethylpyrrole-3-sulfonamide
CID 92715746
ethyl 4-[(2,5-dimethoxyphenyl)methylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate
CID 20927356
N-(3-ethylphenyl)-1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide
CID 20945473
methyl 4-[[1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrol-3-yl]sulfonylamino]benzoate
CID 20945506
N-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945230
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 46486188
N-(2-ethoxyphenyl)-1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)pyrrole-3-sulfonamide
CID 20958556

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide?
The IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide (CID 20945519) is N-[(4-ethoxy-3-methoxyphenyl)methyl]-1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide.
What is the SMILES notation for N-[(4-ethoxy-3-methoxyphenyl)methyl]-1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide?
The canonical SMILES for N-[(4-ethoxy-3-methoxyphenyl)methyl]-1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide is CCOc1ccc(CNS(=O)(=O)c2c(C(=O)N3CCCCC3)c(C)n(C)c2C)cc1OC.
What is the InChIKey of N-[(4-ethoxy-3-methoxyphenyl)methyl]-1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide?
The InChIKey is ASEDQICHPZURKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O5S/c1-6-31-19-11-10-18(14-20(19)30-5)15-24-32(28,29)22-17(3)25(4)16(2)21(22)23(27)26-12-8-7-9-13-26/h10-11,14,24H,6-9,12-13,15H2,1-5H3.
What are the key properties of N-[(4-ethoxy-3-methoxyphenyl)methyl]-1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide?
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide has a molecular weight of 463.60 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-methoxyphenyl)methyl]-1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 20945519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).