3-ethyl-N-(2-methyl-5-methylsulfonylphenyl)pyrrolidine-3-carboxamide

C15H22N2O3S — CID 63139414

IUPAC3-ethyl-N-(2-methyl-5-methylsulfonylphenyl)pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)Nc2cc(S(C)(=O)=O)ccc2C)CCNC1
InChIInChI=1S/C15H22N2O3S/c1-4-15(7-8-16-10-15)14(18)17-13-9-12(21(3,19)20)6-5-11(13)2/h5-6,9,16H,4,7-8,10H2,1-3H3,(H,17,18)
InChIKeyYZHJYZNXISQRRO-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.73
Rot. Bonds4

About 3-ethyl-N-(2-methyl-5-methylsulfonylphenyl)pyrrolidine-3-carboxamide

3-ethyl-N-(2-methyl-5-methylsulfonylphenyl)pyrrolidine-3-carboxamide (PubChem CID 63139414) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 3-ethyl-N-(2-methyl-5-methylsulfonylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(2-methyl-5-methylsulfonylphenyl)pyrrolidine-3-carboxamide
PubChem CID63139414
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name3-ethyl-N-(2-methyl-5-methylsulfonylphenyl)pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)Nc2cc(S(C)(=O)=O)ccc2C)CCNC1
InChIInChI=1S/C15H22N2O3S/c1-4-15(7-8-16-10-15)14(18)17-13-9-12(21(3,19)20)6-5-11(13)2/h5-6,9,16H,4,7-8,10H2,1-3H3,(H,17,18)
InChIKeyYZHJYZNXISQRRO-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-(2-methyl-5-methylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 83065203
3-ethyl-N-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide
CID 63130968
N-(2-hydroxy-5-methylsulfonylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 81433175
3-ethyl-N-(3-hydroxy-2,4-dimethylphenyl)piperidine-3-carboxamide
CID 63130701
3-ethyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-3-carboxamide
CID 63138345
N-(2-methyl-5-methylsulfonylphenyl)-1-phenylcyclopropane-1-carboxamide
CID 51073188
N-(6-chloro-4-methyl-3-pyridinyl)-3-ethylpyrrolidine-3-carboxamide
CID 113286068
N-(2-methyl-5-methylsulfonylphenyl)piperidine-4-carboxamide
CID 43703421
N-(4-bromo-3-methylphenyl)-3-ethylpyrrolidine-3-carboxamide
CID 63140591
2-(1-aminocyclopentyl)-N-(2-methyl-5-methylsulfonylphenyl)acetamide
CID 64685014
N-(2-fluoro-5-methylsulfonylphenyl)-4-methylpiperidine-4-carboxamide
CID 63121700
N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpiperidine-3-carboxamide
CID 63130876

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(2-methyl-5-methylsulfonylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-(2-methyl-5-methylsulfonylphenyl)pyrrolidine-3-carboxamide (CID 63139414) is 3-ethyl-N-(2-methyl-5-methylsulfonylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-(2-methyl-5-methylsulfonylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-(2-methyl-5-methylsulfonylphenyl)pyrrolidine-3-carboxamide is CCC1(C(=O)Nc2cc(S(C)(=O)=O)ccc2C)CCNC1.
What is the InChIKey of 3-ethyl-N-(2-methyl-5-methylsulfonylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is YZHJYZNXISQRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-4-15(7-8-16-10-15)14(18)17-13-9-12(21(3,19)20)6-5-11(13)2/h5-6,9,16H,4,7-8,10H2,1-3H3,(H,17,18).
What are the key properties of 3-ethyl-N-(2-methyl-5-methylsulfonylphenyl)pyrrolidine-3-carboxamide?
3-ethyl-N-(2-methyl-5-methylsulfonylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(2-methyl-5-methylsulfonylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63139414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).