2-ethyl-N-(2-methyl-5-methylsulfonylphenyl)pyrrolidine-2-carboxamide

C15H22N2O3S — CID 83065203

IUPAC2-ethyl-N-(2-methyl-5-methylsulfonylphenyl)pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)Nc2cc(S(C)(=O)=O)ccc2C)CCCN1
InChIInChI=1S/C15H22N2O3S/c1-4-15(8-5-9-16-15)14(18)17-13-10-12(21(3,19)20)7-6-11(13)2/h6-7,10,16H,4-5,8-9H2,1-3H3,(H,17,18)
InChIKeyMWSYVJJTEIRLNA-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.87
Rot. Bonds4

About 2-ethyl-N-(2-methyl-5-methylsulfonylphenyl)pyrrolidine-2-carboxamide

2-ethyl-N-(2-methyl-5-methylsulfonylphenyl)pyrrolidine-2-carboxamide (PubChem CID 83065203) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-ethyl-N-(2-methyl-5-methylsulfonylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(2-methyl-5-methylsulfonylphenyl)pyrrolidine-2-carboxamide
PubChem CID83065203
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name2-ethyl-N-(2-methyl-5-methylsulfonylphenyl)pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)Nc2cc(S(C)(=O)=O)ccc2C)CCCN1
InChIInChI=1S/C15H22N2O3S/c1-4-15(8-5-9-16-15)14(18)17-13-10-12(21(3,19)20)7-6-11(13)2/h6-7,10,16H,4-5,8-9H2,1-3H3,(H,17,18)
InChIKeyMWSYVJJTEIRLNA-UHFFFAOYSA-N
XLogP1.87
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-N-(2-methyl-5-methylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 63139414
2-ethyl-N-(4-iodo-2-methylphenyl)pyrrolidine-2-carboxamide
CID 83071800
2-ethyl-N-(2-ethylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 83063260
2-ethyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 83080609
2-ethyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 83063422
N-(3-methylsulfonylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974512
N-(2,5-dichlorophenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83080071
N-(2-cyano-3-methylphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 107805121
N-(2-methyl-5-methylsulfonylphenyl)-1-phenylcyclopropane-1-carboxamide
CID 51073188
3-[(2-ethylpyrrolidine-2-carbonyl)amino]-4-hydroxybenzoic acid
CID 107265136
N-(4-chloro-2-methoxy-5-methylphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83080333
2-(1-aminocyclopentyl)-N-(2-methyl-5-methylsulfonylphenyl)acetamide
CID 64685014

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-methyl-5-methylsulfonylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 2-ethyl-N-(2-methyl-5-methylsulfonylphenyl)pyrrolidine-2-carboxamide (CID 83065203) is 2-ethyl-N-(2-methyl-5-methylsulfonylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-ethyl-N-(2-methyl-5-methylsulfonylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 2-ethyl-N-(2-methyl-5-methylsulfonylphenyl)pyrrolidine-2-carboxamide is CCC1(C(=O)Nc2cc(S(C)(=O)=O)ccc2C)CCCN1.
What is the InChIKey of 2-ethyl-N-(2-methyl-5-methylsulfonylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is MWSYVJJTEIRLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-4-15(8-5-9-16-15)14(18)17-13-10-12(21(3,19)20)7-6-11(13)2/h6-7,10,16H,4-5,8-9H2,1-3H3,(H,17,18).
What are the key properties of 2-ethyl-N-(2-methyl-5-methylsulfonylphenyl)pyrrolidine-2-carboxamide?
2-ethyl-N-(2-methyl-5-methylsulfonylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-methyl-5-methylsulfonylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 83065203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).