N-(4-ethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide

C17H20N2O3S2 — CID 53066354

IUPACN-(4-ethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
SMILESCCc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)s2)cc1
InChIInChI=1S/C17H20N2O3S2/c1-2-13-5-7-14(8-6-13)18-17(20)15-9-10-16(23-15)24(21,22)19-11-3-4-12-19/h5-10H,2-4,11-12H2,1H3,(H,18,20)
InChIKeyFLUGTETWXLGPDH-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.35
Rot. Bonds5

About N-(4-ethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide

N-(4-ethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide (PubChem CID 53066354) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-(4-ethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
PubChem CID53066354
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC NameN-(4-ethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
SMILESCCc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)s2)cc1
InChIInChI=1S/C17H20N2O3S2/c1-2-13-5-7-14(8-6-13)18-17(20)15-9-10-16(23-15)24(21,22)19-11-3-4-12-19/h5-10H,2-4,11-12H2,1H3,(H,18,20)
InChIKeyFLUGTETWXLGPDH-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-(3,4-dimethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 53066366
N-(2-ethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 53066353
N-(2-ethyl-6-methylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 53066371
N-(4-ethylphenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 26697285
5-pyrrolidin-1-ylsulfonylthiophene-2-carboxylic acid
CID 61027232
N-(4-ethylphenyl)-5-methylthiophene-2-carboxamide
CID 42992010
4-(azepan-1-ylsulfonyl)-N-(4-ethylphenyl)-1-methylpyrrole-2-carboxamide
CID 53087324
3-(4-ethylphenyl)-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]propanamide
CID 32752038
(3R)-N-(4-ethylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447063
3-[5-[(4-ethylphenyl)carbamoyl]thiophen-2-yl]prop-2-enoic acid
CID 76906690
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-ethylbenzamide
CID 26795599
N-(4-ethylphenyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide
CID 60593967

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide (CID 53066354) is N-(4-ethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide is CCc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)s2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The InChIKey is FLUGTETWXLGPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-2-13-5-7-14(8-6-13)18-17(20)15-9-10-16(23-15)24(21,22)19-11-3-4-12-19/h5-10H,2-4,11-12H2,1H3,(H,18,20).
What are the key properties of N-(4-ethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
N-(4-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-(4-ethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 53066354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).