1-[3-hydroxy-1-(4-methoxyphenyl)propyl]-5-oxopyrrolidine-3-sulfonamide

C14H20N2O5S — CID 168716577

IUPAC1-[3-hydroxy-1-(4-methoxyphenyl)propyl]-5-oxopyrrolidine-3-sulfonamide
SMILESCOc1ccc(C(CCO)N2CC(S(N)(=O)=O)CC2=O)cc1
InChIInChI=1S/C14H20N2O5S/c1-21-11-4-2-10(3-5-11)13(6-7-17)16-9-12(8-14(16)18)22(15,19)20/h2-5,12-13,17H,6-9H2,1H3,(H2,15,19,20)
InChIKeyQRVBPAPVRWDBLK-UHFFFAOYSA-N
MW328.39 g/mol
LogP0.01
Rot. Bonds6

About 1-[3-hydroxy-1-(4-methoxyphenyl)propyl]-5-oxopyrrolidine-3-sulfonamide

1-[3-hydroxy-1-(4-methoxyphenyl)propyl]-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168716577) has the molecular formula C14H20N2O5S and a molecular weight of 328.39 g/mol. Its IUPAC name is 1-[3-hydroxy-1-(4-methoxyphenyl)propyl]-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-[3-hydroxy-1-(4-methoxyphenyl)propyl]-5-oxopyrrolidine-3-sulfonamide
PubChem CID168716577
Molecular FormulaC14H20N2O5S
Molecular Weight328.39 g/mol
Exact Mass328.11
IUPAC Name1-[3-hydroxy-1-(4-methoxyphenyl)propyl]-5-oxopyrrolidine-3-sulfonamide
SMILESCOc1ccc(C(CCO)N2CC(S(N)(=O)=O)CC2=O)cc1
InChIInChI=1S/C14H20N2O5S/c1-21-11-4-2-10(3-5-11)13(6-7-17)16-9-12(8-14(16)18)22(15,19)20/h2-5,12-13,17H,6-9H2,1H3,(H2,15,19,20)
InChIKeyQRVBPAPVRWDBLK-UHFFFAOYSA-N
XLogP0.01
TPSA109.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1S)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide
CID 168716591
4-(azidomethyl)-1-[3-hydroxy-1-(4-methoxyphenyl)propyl]pyrrolidin-2-one
CID 168655610
3-(3-methoxyphenyl)-3-(2-oxo-4-sulfamoylpyrrolidin-1-yl)propanoic acid
CID 168716580
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide
CID 168716563
1-[(1S)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713263
2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-2-(4-methoxyphenyl)acetic acid
CID 168713247
1-[(1S)-1-naphthalen-2-ylethyl]-5-oxopyrrolidine-3-sulfonamide
CID 168716593
3-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-(4-methoxyphenyl)propanoic acid
CID 168701581
3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(4-methoxyphenyl)propanoic acid
CID 168695762
2-[(1S)-3-hydroxy-1-(4-methoxyphenyl)propyl]-3H-isoindol-1-one
CID 7096738
4-chloro-1-[3-hydroxy-1-(4-methylphenyl)propyl]pyrrolidin-2-one
CID 168687009
2-(4-methylphenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid
CID 168716602

Frequently Asked Questions

What is the IUPAC name of 1-[3-hydroxy-1-(4-methoxyphenyl)propyl]-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-[3-hydroxy-1-(4-methoxyphenyl)propyl]-5-oxopyrrolidine-3-sulfonamide (CID 168716577) is 1-[3-hydroxy-1-(4-methoxyphenyl)propyl]-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-[3-hydroxy-1-(4-methoxyphenyl)propyl]-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-[3-hydroxy-1-(4-methoxyphenyl)propyl]-5-oxopyrrolidine-3-sulfonamide is COc1ccc(C(CCO)N2CC(S(N)(=O)=O)CC2=O)cc1.
What is the InChIKey of 1-[3-hydroxy-1-(4-methoxyphenyl)propyl]-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is QRVBPAPVRWDBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S/c1-21-11-4-2-10(3-5-11)13(6-7-17)16-9-12(8-14(16)18)22(15,19)20/h2-5,12-13,17H,6-9H2,1H3,(H2,15,19,20).
What are the key properties of 1-[3-hydroxy-1-(4-methoxyphenyl)propyl]-5-oxopyrrolidine-3-sulfonamide?
1-[3-hydroxy-1-(4-methoxyphenyl)propyl]-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 328.39 g/mol, XLogP of 0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-hydroxy-1-(4-methoxyphenyl)propyl]-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168716577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).