N-[2-(2-methoxyphenyl)ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide

C15H22N2O4S — CID 51073763

IUPACN-[2-(2-methoxyphenyl)ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCOc1ccccc1CCNC(=O)C1CCCN1S(C)(=O)=O
InChIInChI=1S/C15H22N2O4S/c1-21-14-8-4-3-6-12(14)9-10-16-15(18)13-7-5-11-17(13)22(2,19)20/h3-4,6,8,13H,5,7,9-11H2,1-2H3,(H,16,18)
InChIKeyRWFAMYNSFJTWKT-UHFFFAOYSA-N
MW326.42 g/mol
LogP0.78
Rot. Bonds6

About N-[2-(2-methoxyphenyl)ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide

N-[2-(2-methoxyphenyl)ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide (PubChem CID 51073763) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide
PubChem CID51073763
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCOc1ccccc1CCNC(=O)C1CCCN1S(C)(=O)=O
InChIInChI=1S/C15H22N2O4S/c1-21-14-8-4-3-6-12(14)9-10-16-15(18)13-7-5-11-17(13)22(2,19)20/h3-4,6,8,13H,5,7,9-11H2,1-2H3,(H,16,18)
InChIKeyRWFAMYNSFJTWKT-UHFFFAOYSA-N
XLogP0.78
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(4-chlorophenyl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 92887750
(2R)-1-methylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 39855260
1-methylsulfonyl-N-(2-quinolin-8-ylethyl)pyrrolidine-2-carboxamide
CID 53498297
(2R)-1-(5-methoxy-2-methylphenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 30128088
2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106259952
(2S)-N-[(2-methoxyphenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 30389661
(2S)-1-methylsulfonyl-N-(2-phenoxyethyl)piperidine-2-carboxamide
CID 33249875
(2S)-1-methylsulfonyl-N-(3-pyridin-2-ylpropyl)pyrrolidine-2-carboxamide
CID 118792152
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 51241320
(2S)-N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 91771287
N-(cyclopropylmethyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 47158071
1-(2-methoxyethylsulfonyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 110335435

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide (CID 51073763) is N-[2-(2-methoxyphenyl)ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide is COc1ccccc1CCNC(=O)C1CCCN1S(C)(=O)=O.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is RWFAMYNSFJTWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-21-14-8-4-3-6-12(14)9-10-16-15(18)13-7-5-11-17(13)22(2,19)20/h3-4,6,8,13H,5,7,9-11H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide?
N-[2-(2-methoxyphenyl)ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 51073763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).