2-[4-(3-thiophen-2-ylpyrrolidin-1-yl)sulfonylphenoxy]acetamide

C16H18N2O4S2 — CID 131703860

IUPAC2-[4-(3-thiophen-2-ylpyrrolidin-1-yl)sulfonylphenoxy]acetamide
SMILESNC(=O)COc1ccc(S(=O)(=O)N2CCC(c3cccs3)C2)cc1
InChIInChI=1S/C16H18N2O4S2/c17-16(19)11-22-13-3-5-14(6-4-13)24(20,21)18-8-7-12(10-18)15-2-1-9-23-15/h1-6,9,12H,7-8,10-11H2,(H2,17,19)
InChIKeyONKSRUYKGCRMJS-UHFFFAOYSA-N
MW366.46 g/mol
LogP1.79
Rot. Bonds6

About 2-[4-(3-thiophen-2-ylpyrrolidin-1-yl)sulfonylphenoxy]acetamide

2-[4-(3-thiophen-2-ylpyrrolidin-1-yl)sulfonylphenoxy]acetamide (PubChem CID 131703860) has the molecular formula C16H18N2O4S2 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-[4-(3-thiophen-2-ylpyrrolidin-1-yl)sulfonylphenoxy]acetamide.

Molecular Properties

Compound Name2-[4-(3-thiophen-2-ylpyrrolidin-1-yl)sulfonylphenoxy]acetamide
PubChem CID131703860
Molecular FormulaC16H18N2O4S2
Molecular Weight366.46 g/mol
Exact Mass366.07
IUPAC Name2-[4-(3-thiophen-2-ylpyrrolidin-1-yl)sulfonylphenoxy]acetamide
SMILESNC(=O)COc1ccc(S(=O)(=O)N2CCC(c3cccs3)C2)cc1
InChIInChI=1S/C16H18N2O4S2/c17-16(19)11-22-13-3-5-14(6-4-13)24(20,21)18-8-7-12(10-18)15-2-1-9-23-15/h1-6,9,12H,7-8,10-11H2,(H2,17,19)
InChIKeyONKSRUYKGCRMJS-UHFFFAOYSA-N
XLogP1.79
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxyphenyl)sulfonyl-3-thiophen-2-ylpyrrolidine
CID 131703854
2-[4-[4-(triazol-2-yl)piperidin-1-yl]sulfonylphenoxy]acetamide
CID 121165244
methyl N-[4-(4-thiophen-2-ylpiperidin-1-yl)sulfonylphenyl]carbamate
CID 71807064
2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenoxy]acetamide
CID 100814431
2-[4-(3-methylpyrrolidin-1-yl)sulfonylphenoxy]acetic acid
CID 61226405
2-[4-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylphenoxy]acetamide
CID 119100301
2-[4-[[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]sulfonyl]phenoxy]acetamide
CID 171363350
2-[4-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]sulfonylphenoxy]acetamide
CID 100648532
1-[4-(2-methoxyethoxy)phenyl]sulfonyl-2-thiophen-2-ylpyrrolidine
CID 134035739
hydroxymethyl 3-thiophen-2-ylpyrrolidine-1-carboxylate
CID 154081566
2-[4-(3-hydroxypiperidin-1-yl)sulfonylphenoxy]acetic acid
CID 43503048
1-(2-methoxy-5-methylphenyl)sulfonyl-3-thiophen-2-ylpyrrolidine
CID 131703855

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-thiophen-2-ylpyrrolidin-1-yl)sulfonylphenoxy]acetamide?
The IUPAC name of 2-[4-(3-thiophen-2-ylpyrrolidin-1-yl)sulfonylphenoxy]acetamide (CID 131703860) is 2-[4-(3-thiophen-2-ylpyrrolidin-1-yl)sulfonylphenoxy]acetamide.
What is the SMILES notation for 2-[4-(3-thiophen-2-ylpyrrolidin-1-yl)sulfonylphenoxy]acetamide?
The canonical SMILES for 2-[4-(3-thiophen-2-ylpyrrolidin-1-yl)sulfonylphenoxy]acetamide is NC(=O)COc1ccc(S(=O)(=O)N2CCC(c3cccs3)C2)cc1.
What is the InChIKey of 2-[4-(3-thiophen-2-ylpyrrolidin-1-yl)sulfonylphenoxy]acetamide?
The InChIKey is ONKSRUYKGCRMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S2/c17-16(19)11-22-13-3-5-14(6-4-13)24(20,21)18-8-7-12(10-18)15-2-1-9-23-15/h1-6,9,12H,7-8,10-11H2,(H2,17,19).
What are the key properties of 2-[4-(3-thiophen-2-ylpyrrolidin-1-yl)sulfonylphenoxy]acetamide?
2-[4-(3-thiophen-2-ylpyrrolidin-1-yl)sulfonylphenoxy]acetamide has a molecular weight of 366.46 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-thiophen-2-ylpyrrolidin-1-yl)sulfonylphenoxy]acetamide is sourced from PubChem (CID 131703860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).