N-(2-ethoxyphenyl)-3-methylsulfonylpyrrolidine-1-carboxamide

C14H20N2O4S — CID 90584758

IUPACN-(2-ethoxyphenyl)-3-methylsulfonylpyrrolidine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCC(S(C)(=O)=O)C1
InChIInChI=1S/C14H20N2O4S/c1-3-20-13-7-5-4-6-12(13)15-14(17)16-9-8-11(10-16)21(2,18)19/h4-7,11H,3,8-10H2,1-2H3,(H,15,17)
InChIKeyZMKDEQHQJGBKAH-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.74
Rot. Bonds4

About N-(2-ethoxyphenyl)-3-methylsulfonylpyrrolidine-1-carboxamide

N-(2-ethoxyphenyl)-3-methylsulfonylpyrrolidine-1-carboxamide (PubChem CID 90584758) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-3-methylsulfonylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-3-methylsulfonylpyrrolidine-1-carboxamide
PubChem CID90584758
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-(2-ethoxyphenyl)-3-methylsulfonylpyrrolidine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCC(S(C)(=O)=O)C1
InChIInChI=1S/C14H20N2O4S/c1-3-20-13-7-5-4-6-12(13)15-14(17)16-9-8-11(10-16)21(2,18)19/h4-7,11H,3,8-10H2,1-2H3,(H,15,17)
InChIKeyZMKDEQHQJGBKAH-UHFFFAOYSA-N
XLogP1.74
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide
CID 91916489
(4aS,8aS)-N-(2-ethoxyphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51944761
(3R)-N-(2-chlorophenyl)-3-methylsulfonylpyrrolidine-1-carboxamide
CID 97414951
N-(2-ethoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 108989544
4-cyclopropylidene-N-(2-ethoxyphenyl)piperidine-1-carboxamide
CID 121187160
(3S)-3-cyano-N-(2-ethoxyphenyl)piperidine-1-carboxamide
CID 97436786
N-(2-ethoxyphenyl)-4-thiophen-2-ylpiperidine-1-carboxamide
CID 90522272
N-(2-ethoxyphenyl)-4-(triazol-1-yl)piperidine-1-carboxamide
CID 121151383
N-(2-ethoxyphenyl)-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 166619185
N-(2-ethoxyphenyl)-4-formylpiperazine-1-carboxamide
CID 108988617
(2-ethoxynaphthalen-1-yl)-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90584648
N-(2-ethoxyphenyl)-4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 90494087

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-3-methylsulfonylpyrrolidine-1-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-3-methylsulfonylpyrrolidine-1-carboxamide (CID 90584758) is N-(2-ethoxyphenyl)-3-methylsulfonylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-3-methylsulfonylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-3-methylsulfonylpyrrolidine-1-carboxamide is CCOc1ccccc1NC(=O)N1CCC(S(C)(=O)=O)C1.
What is the InChIKey of N-(2-ethoxyphenyl)-3-methylsulfonylpyrrolidine-1-carboxamide?
The InChIKey is ZMKDEQHQJGBKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-3-20-13-7-5-4-6-12(13)15-14(17)16-9-8-11(10-16)21(2,18)19/h4-7,11H,3,8-10H2,1-2H3,(H,15,17).
What are the key properties of N-(2-ethoxyphenyl)-3-methylsulfonylpyrrolidine-1-carboxamide?
N-(2-ethoxyphenyl)-3-methylsulfonylpyrrolidine-1-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-3-methylsulfonylpyrrolidine-1-carboxamide is sourced from PubChem (CID 90584758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).