N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-methylsulfonylpyrrolidine-2-carboxamide

C16H23N3O4S — CID 55522001

IUPACN-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)C1CCCN1S(C)(=O)=O
InChIInChI=1S/C16H23N3O4S/c1-11-6-4-7-12(2)15(11)18-14(20)10-17-16(21)13-8-5-9-19(13)24(3,22)23/h4,6-7,13H,5,8-10H2,1-3H3,(H,17,21)(H,18,20)
InChIKeyARMGXKLBKLXTDW-UHFFFAOYSA-N
MW353.44 g/mol
LogP0.78
Rot. Bonds5

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-methylsulfonylpyrrolidine-2-carboxamide

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-methylsulfonylpyrrolidine-2-carboxamide (PubChem CID 55522001) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-methylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-methylsulfonylpyrrolidine-2-carboxamide
PubChem CID55522001
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)C1CCCN1S(C)(=O)=O
InChIInChI=1S/C16H23N3O4S/c1-11-6-4-7-12(2)15(11)18-14(20)10-17-16(21)13-8-5-9-19(13)24(3,22)23/h4,6-7,13H,5,8-10H2,1-3H3,(H,17,21)(H,18,20)
InChIKeyARMGXKLBKLXTDW-UHFFFAOYSA-N
XLogP0.78
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethyl-6-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 17463207
N-(2-methyl-6-propan-2-ylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 18093475
(2S)-1-(4-methylphenyl)sulfonyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-2-carboxamide
CID 27782915
N-(2-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 45153692
N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 17424471
(2R)-1-methylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 39855260
1-methylsulfonyl-N-[3-(propanoylamino)phenyl]pyrrolidine-2-carboxamide
CID 46419731
N-[[3-(hydroxymethyl)phenyl]methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 63311449
(2S)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 41231785
(2S)-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 39855262
N-(cyclopropylmethyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 47158071
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 86835660

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-methylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-methylsulfonylpyrrolidine-2-carboxamide (CID 55522001) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-methylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-methylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-methylsulfonylpyrrolidine-2-carboxamide is Cc1cccc(C)c1NC(=O)CNC(=O)C1CCCN1S(C)(=O)=O.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-methylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is ARMGXKLBKLXTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-11-6-4-7-12(2)15(11)18-14(20)10-17-16(21)13-8-5-9-19(13)24(3,22)23/h4,6-7,13H,5,8-10H2,1-3H3,(H,17,21)(H,18,20).
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-methylsulfonylpyrrolidine-2-carboxamide?
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-methylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 353.44 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-methylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 55522001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).