1-[3-(3-acetylphenoxy)-2-hydroxypropyl]-N-cyclopropylpyrrolidine-3-sulfonamide

C18H26N2O5S — CID 71911072

IUPAC1-[3-(3-acetylphenoxy)-2-hydroxypropyl]-N-cyclopropylpyrrolidine-3-sulfonamide
SMILESCC(=O)c1cccc(OCC(O)CN2CCC(S(=O)(=O)NC3CC3)C2)c1
InChIInChI=1S/C18H26N2O5S/c1-13(21)14-3-2-4-17(9-14)25-12-16(22)10-20-8-7-18(11-20)26(23,24)19-15-5-6-15/h2-4,9,15-16,18-19,22H,5-8,10-12H2,1H3
InChIKeySOWXVCDNJVLHRO-UHFFFAOYSA-N
MW382.48 g/mol
LogP0.79
Rot. Bonds9

About 1-[3-(3-acetylphenoxy)-2-hydroxypropyl]-N-cyclopropylpyrrolidine-3-sulfonamide

1-[3-(3-acetylphenoxy)-2-hydroxypropyl]-N-cyclopropylpyrrolidine-3-sulfonamide (PubChem CID 71911072) has the molecular formula C18H26N2O5S and a molecular weight of 382.48 g/mol. Its IUPAC name is 1-[3-(3-acetylphenoxy)-2-hydroxypropyl]-N-cyclopropylpyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-[3-(3-acetylphenoxy)-2-hydroxypropyl]-N-cyclopropylpyrrolidine-3-sulfonamide
PubChem CID71911072
Molecular FormulaC18H26N2O5S
Molecular Weight382.48 g/mol
Exact Mass382.16
IUPAC Name1-[3-(3-acetylphenoxy)-2-hydroxypropyl]-N-cyclopropylpyrrolidine-3-sulfonamide
SMILESCC(=O)c1cccc(OCC(O)CN2CCC(S(=O)(=O)NC3CC3)C2)c1
InChIInChI=1S/C18H26N2O5S/c1-13(21)14-3-2-4-17(9-14)25-12-16(22)10-20-8-7-18(11-20)26(23,24)19-15-5-6-15/h2-4,9,15-16,18-19,22H,5-8,10-12H2,1H3
InChIKeySOWXVCDNJVLHRO-UHFFFAOYSA-N
XLogP0.79
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[4-[3-(3-acetylphenoxy)-2-hydroxypropyl]piperazin-1-yl]phenyl]ethanone
CID 55346104
1-[3-[(2S)-2-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]phenyl]ethanone
CID 31061773
1-[3-[3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]ethanone
CID 10738043
1-[3-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]phenyl]ethanone
CID 11314650
1-[3-[3-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-hydroxypropoxy]phenyl]ethanone
CID 4282416
1-[3-[2-hydroxy-3-(4-propyl-1,4-diazepan-1-yl)propoxy]phenyl]ethanone
CID 111120281
ethyl 3-[2-hydroxy-3-(3-methylpyrrolidin-1-yl)propoxy]benzoate
CID 86880419
1-[3-[2-hydroxy-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propoxy]phenyl]ethanone
CID 111107421
1-[3-[2-hydroxy-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propoxy]phenyl]ethanone
CID 55361764
1-(3-aminophenoxy)-3-(3-methylpyrrolidin-1-yl)propan-2-ol
CID 61223978
1-[3-[3-(2,5-dimethylmorpholin-4-yl)-2-hydroxypropoxy]phenyl]ethanone
CID 51077725
ethyl 1-[2-hydroxy-3-(3-methylphenoxy)propyl]pyrrolidine-3-carboxylate
CID 166256415

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-acetylphenoxy)-2-hydroxypropyl]-N-cyclopropylpyrrolidine-3-sulfonamide?
The IUPAC name of 1-[3-(3-acetylphenoxy)-2-hydroxypropyl]-N-cyclopropylpyrrolidine-3-sulfonamide (CID 71911072) is 1-[3-(3-acetylphenoxy)-2-hydroxypropyl]-N-cyclopropylpyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-[3-(3-acetylphenoxy)-2-hydroxypropyl]-N-cyclopropylpyrrolidine-3-sulfonamide?
The canonical SMILES for 1-[3-(3-acetylphenoxy)-2-hydroxypropyl]-N-cyclopropylpyrrolidine-3-sulfonamide is CC(=O)c1cccc(OCC(O)CN2CCC(S(=O)(=O)NC3CC3)C2)c1.
What is the InChIKey of 1-[3-(3-acetylphenoxy)-2-hydroxypropyl]-N-cyclopropylpyrrolidine-3-sulfonamide?
The InChIKey is SOWXVCDNJVLHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5S/c1-13(21)14-3-2-4-17(9-14)25-12-16(22)10-20-8-7-18(11-20)26(23,24)19-15-5-6-15/h2-4,9,15-16,18-19,22H,5-8,10-12H2,1H3.
What are the key properties of 1-[3-(3-acetylphenoxy)-2-hydroxypropyl]-N-cyclopropylpyrrolidine-3-sulfonamide?
1-[3-(3-acetylphenoxy)-2-hydroxypropyl]-N-cyclopropylpyrrolidine-3-sulfonamide has a molecular weight of 382.48 g/mol, XLogP of 0.79, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-acetylphenoxy)-2-hydroxypropyl]-N-cyclopropylpyrrolidine-3-sulfonamide is sourced from PubChem (CID 71911072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).