N-(2-ethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide

C17H20N2O3S2 — CID 53066353

IUPACN-(2-ethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)s1
InChIInChI=1S/C17H20N2O3S2/c1-2-13-7-3-4-8-14(13)18-17(20)15-9-10-16(23-15)24(21,22)19-11-5-6-12-19/h3-4,7-10H,2,5-6,11-12H2,1H3,(H,18,20)
InChIKeyMLROOVYSMJJIKG-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.35
Rot. Bonds5

About N-(2-ethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide

N-(2-ethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide (PubChem CID 53066353) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-(2-ethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
PubChem CID53066353
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC NameN-(2-ethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)s1
InChIInChI=1S/C17H20N2O3S2/c1-2-13-7-3-4-8-14(13)18-17(20)15-9-10-16(23-15)24(21,22)19-11-5-6-12-19/h3-4,7-10H,2,5-6,11-12H2,1H3,(H,18,20)
InChIKeyMLROOVYSMJJIKG-UHFFFAOYSA-N
XLogP3.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethyl-6-methylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 53066371
N-(4-ethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 53066354
N-(2-ethylphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 8839489
N-(3,4-dimethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 53066366
5-pyrrolidin-1-ylsulfonylthiophene-2-carboxylic acid
CID 61027232
N-(2-ethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 8839499
5-chloro-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 7750910
N-[(2-chlorophenyl)methyl]-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide
CID 53066269
N-(2-propan-2-ylphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 37133311
N-(2-methylphenyl)-4-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
CID 53101340
N-(2-ethylphenyl)-2-pyrrolidin-1-ylbenzamide
CID 168513079
5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 6502778

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide (CID 53066353) is N-(2-ethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide is CCc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)s1.
What is the InChIKey of N-(2-ethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The InChIKey is MLROOVYSMJJIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-2-13-7-3-4-8-14(13)18-17(20)15-9-10-16(23-15)24(21,22)19-11-5-6-12-19/h3-4,7-10H,2,5-6,11-12H2,1H3,(H,18,20).
What are the key properties of N-(2-ethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
N-(2-ethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 53066353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).