1-(5-ethyl-2-hydroxybenzoyl)-N-propan-2-ylpyrrolidine-3-sulfonamide

C16H24N2O4S — CID 154835571

IUPAC1-(5-ethyl-2-hydroxybenzoyl)-N-propan-2-ylpyrrolidine-3-sulfonamide
SMILESCCc1ccc(O)c(C(=O)N2CCC(S(=O)(=O)NC(C)C)C2)c1
InChIInChI=1S/C16H24N2O4S/c1-4-12-5-6-15(19)14(9-12)16(20)18-8-7-13(10-18)23(21,22)17-11(2)3/h5-6,9,11,13,17,19H,4,7-8,10H2,1-3H3
InChIKeyROMGJQHNGAOKNZ-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.50
Rot. Bonds5

About 1-(5-ethyl-2-hydroxybenzoyl)-N-propan-2-ylpyrrolidine-3-sulfonamide

1-(5-ethyl-2-hydroxybenzoyl)-N-propan-2-ylpyrrolidine-3-sulfonamide (PubChem CID 154835571) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is 1-(5-ethyl-2-hydroxybenzoyl)-N-propan-2-ylpyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(5-ethyl-2-hydroxybenzoyl)-N-propan-2-ylpyrrolidine-3-sulfonamide
PubChem CID154835571
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Name1-(5-ethyl-2-hydroxybenzoyl)-N-propan-2-ylpyrrolidine-3-sulfonamide
SMILESCCc1ccc(O)c(C(=O)N2CCC(S(=O)(=O)NC(C)C)C2)c1
InChIInChI=1S/C16H24N2O4S/c1-4-12-5-6-15(19)14(9-12)16(20)18-8-7-13(10-18)23(21,22)17-11(2)3/h5-6,9,11,13,17,19H,4,7-8,10H2,1-3H3
InChIKeyROMGJQHNGAOKNZ-UHFFFAOYSA-N
XLogP1.50
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5-ethyl-2-hydroxyphenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 110911190
1-[(2R)-2-aminopropanoyl]-N-propan-2-ylpyrrolidine-3-sulfonamide
CID 120873285
[4-(5-ethyl-2-hydroxybenzoyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone
CID 51102388
1-[3-(2,6-dichlorophenyl)prop-2-enoyl]-N-propan-2-ylpyrrolidine-3-sulfonamide
CID 91943379
(2,4-dihydroxyphenyl)-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 57440489
(2-hydroxy-5-iodophenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 113254113
(5-bromo-2-hydroxyphenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023690
(3-ethylpiperidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 43430151
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-hydroxy-5-iodophenyl)methanone
CID 107732213
(2-hydroxy-5-methoxyphenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 112697873
(5-ethyl-2-hydroxyphenyl)-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone
CID 120823674
tert-butyl 3-[3-(5-ethyl-2-hydroxyphenyl)-3-oxopropanoyl]piperidine-1-carboxylate
CID 23160643

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-hydroxybenzoyl)-N-propan-2-ylpyrrolidine-3-sulfonamide?
The IUPAC name of 1-(5-ethyl-2-hydroxybenzoyl)-N-propan-2-ylpyrrolidine-3-sulfonamide (CID 154835571) is 1-(5-ethyl-2-hydroxybenzoyl)-N-propan-2-ylpyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(5-ethyl-2-hydroxybenzoyl)-N-propan-2-ylpyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(5-ethyl-2-hydroxybenzoyl)-N-propan-2-ylpyrrolidine-3-sulfonamide is CCc1ccc(O)c(C(=O)N2CCC(S(=O)(=O)NC(C)C)C2)c1.
What is the InChIKey of 1-(5-ethyl-2-hydroxybenzoyl)-N-propan-2-ylpyrrolidine-3-sulfonamide?
The InChIKey is ROMGJQHNGAOKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-4-12-5-6-15(19)14(9-12)16(20)18-8-7-13(10-18)23(21,22)17-11(2)3/h5-6,9,11,13,17,19H,4,7-8,10H2,1-3H3.
What are the key properties of 1-(5-ethyl-2-hydroxybenzoyl)-N-propan-2-ylpyrrolidine-3-sulfonamide?
1-(5-ethyl-2-hydroxybenzoyl)-N-propan-2-ylpyrrolidine-3-sulfonamide has a molecular weight of 340.45 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-hydroxybenzoyl)-N-propan-2-ylpyrrolidine-3-sulfonamide is sourced from PubChem (CID 154835571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).