N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide

C16H18N2O3S2 — CID 1077847

IUPACN-(4-pyrrolidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C16H18N2O3S2/c19-16(12-14-4-3-11-22-14)17-13-5-7-15(8-6-13)23(20,21)18-9-1-2-10-18/h3-8,11H,1-2,9-10,12H2,(H,17,19)
InChIKeyZMYUHWNQSIRLEL-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.71
Rot. Bonds5

About N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide

N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide (PubChem CID 1077847) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(4-pyrrolidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide
PubChem CID1077847
Molecular FormulaC16H18N2O3S2
Molecular Weight350.47 g/mol
Exact Mass350.08
IUPAC NameN-(4-pyrrolidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C16H18N2O3S2/c19-16(12-14-4-3-11-22-14)17-13-5-7-15(8-6-13)23(20,21)18-9-1-2-10-18/h3-8,11H,1-2,9-10,12H2,(H,17,19)
InChIKeyZMYUHWNQSIRLEL-UHFFFAOYSA-N
XLogP2.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide
CID 670143
N-(4-sulfamoylphenyl)thiophene-2-carboxamide
CID 687455
N-(2-Fluoro-4-Sulfamoylphenyl)-2-(Thiophen-2-Yl)acetamide
CID 44520897
Sulfonamide deriv., 5d
CID 44520899
4-[[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]amino]benzenesulfonamide
CID 2258220
N-[4-(Acetyl-methyl-amino)-phenyl]-2-thiophen-2-yl-acetamide
CID 670788
5-methyl-N-[4-(methylsulfamoyl)phenyl]thiophene-3-carboxamide
CID 1247495
N-[4-(butylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 2188561
N-[3-(dimethylsulfamoyl)phenyl]-2-thiophen-3-ylacetamide
CID 4805705
N-(4-fluorophenyl)-1-(thiophene-2-sulfonyl)piperidine-4-carboxamide
CID 2053794
N~1~-(2-fluorophenyl)-N~3~-(thien-2-ylsulfonyl)-beta-alaninamide
CID 3244623
N-(4-Dipropylsulfamoyl-phenyl)-2-thiophen-2-yl-acetamide
CID 2931351

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide (CID 1077847) is N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide?
The InChIKey is ZMYUHWNQSIRLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c19-16(12-14-4-3-11-22-14)17-13-5-7-15(8-6-13)23(20,21)18-9-1-2-10-18/h3-8,11H,1-2,9-10,12H2,(H,17,19).
What are the key properties of N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide?
N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide has a molecular weight of 350.47 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 1077847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).