N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-ethylbenzamide

C21H26N2O4S — CID 26795599

IUPACN-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-ethylbenzamide
SMILESCCOc1ccc(NC(=O)c2ccc(CC)cc2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C21H26N2O4S/c1-3-16-7-9-17(10-8-16)21(24)22-18-11-12-19(27-4-2)20(15-18)28(25,26)23-13-5-6-14-23/h7-12,15H,3-6,13-14H2,1-2H3,(H,22,24)
InChIKeyJSCNYUCFWOZQRK-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.68
Rot. Bonds7

About N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-ethylbenzamide

N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-ethylbenzamide (PubChem CID 26795599) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-ethylbenzamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-ethylbenzamide
PubChem CID26795599
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-ethylbenzamide
SMILESCCOc1ccc(NC(=O)c2ccc(CC)cc2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C21H26N2O4S/c1-3-16-7-9-17(10-8-16)21(24)22-18-11-12-19(27-4-2)20(15-18)28(25,26)23-13-5-6-14-23/h7-12,15H,3-6,13-14H2,1-2H3,(H,22,24)
InChIKeyJSCNYUCFWOZQRK-UHFFFAOYSA-N
XLogP3.68
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-(methoxymethyl)benzamide
CID 8624161
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)naphthalene-2-carboxamide
CID 26189255
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-fluorobenzamide
CID 7589957
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide
CID 9390241
2-chloro-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxamide
CID 32696205
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-methoxybenzamide
CID 7589948
4-chloro-N-(3,4-diethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 42090593
2-bromo-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26795556
4-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-nitrobenzamide
CID 25445526
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-5-fluoro-2-methylbenzamide
CID 33078976
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24535056
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 26189226

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-ethylbenzamide?
The IUPAC name of N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-ethylbenzamide (CID 26795599) is N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-ethylbenzamide.
What is the SMILES notation for N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-ethylbenzamide?
The canonical SMILES for N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-ethylbenzamide is CCOc1ccc(NC(=O)c2ccc(CC)cc2)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-ethylbenzamide?
The InChIKey is JSCNYUCFWOZQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-3-16-7-9-17(10-8-16)21(24)22-18-11-12-19(27-4-2)20(15-18)28(25,26)23-13-5-6-14-23/h7-12,15H,3-6,13-14H2,1-2H3,(H,22,24).
What are the key properties of N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-ethylbenzamide?
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-ethylbenzamide has a molecular weight of 402.52 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-ethylbenzamide is sourced from PubChem (CID 26795599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).