N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]thiophene-2-carboxamide

C17H20N2O3S2 — CID 1039500

IUPACN-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccs1
InChIInChI=1S/C17H20N2O3S2/c20-17(16-4-3-13-23-16)18-10-9-14-5-7-15(8-6-14)24(21,22)19-11-1-2-12-19/h3-8,13H,1-2,9-12H2,(H,18,20)
InChIKeyIDARNSYMSMAPFI-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.51
Rot. Bonds6

About N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]thiophene-2-carboxamide

N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]thiophene-2-carboxamide (PubChem CID 1039500) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]thiophene-2-carboxamide
PubChem CID1039500
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC NameN-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccs1
InChIInChI=1S/C17H20N2O3S2/c20-17(16-4-3-13-23-16)18-10-9-14-5-7-15(8-6-14)24(21,22)19-11-1-2-12-19/h3-8,13H,1-2,9-12H2,(H,18,20)
InChIKeyIDARNSYMSMAPFI-UHFFFAOYSA-N
XLogP2.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-(4-(aminosulfonyl)phenyl)ethyl)-2-(2-thienyl)acetamide
CID 670786
N-[(4-sulfamoylphenyl)methyl]-2-(thiophen-2-yl)acetamide
CID 694792
1-[(3,4-Dimethylphenyl)sulfonyl]-4-(thien-2-ylcarbonyl)piperazine
CID 1262770
5-Sulfamoyl-thieno[2,3-b]thiophene-2-carboxylic acid (2-methanesulfinyl-ethyl)-amide
CID 14700210
N-(2-Phenylethyl)-2-thiophenecarboxamide
CID 728650
2-[ethyl-(4-propan-2-ylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 2118296
N-[2-(dimethylamino)-2-phenylethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4786487
3-(dimethylsulfamoyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 4788844
4-(Benzylsulfamoyl)thiophene-2-carboxamide
CID 6486045
4-[(2-Phenylethyl)sulfamoyl]thiophene-2-carboxamide
CID 6486061
N-(3-methylbutyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide 5,5-dioxide
CID 6620252
4-{[(2-Methylphenyl)methyl]sulfamoyl}thiophene-2-carboxamide
CID 16025119

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]thiophene-2-carboxamide (CID 1039500) is N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]thiophene-2-carboxamide is O=C(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccs1.
What is the InChIKey of N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is IDARNSYMSMAPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c20-17(16-4-3-13-23-16)18-10-9-14-5-7-15(8-6-14)24(21,22)19-11-1-2-12-19/h3-8,13H,1-2,9-12H2,(H,18,20).
What are the key properties of N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]thiophene-2-carboxamide?
N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 1039500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).