1-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide

C15H22N2O4S — CID 4985773

IUPAC1-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCOc1cc(C)c(S(=O)(=O)N2CCCC2C(N)=O)c(C)c1C
InChIInChI=1S/C15H22N2O4S/c1-9-8-13(21-4)10(2)11(3)14(9)22(19,20)17-7-5-6-12(17)15(16)18/h8,12H,5-7H2,1-4H3,(H2,16,18)
InChIKeyYWPKORBXNSFYBO-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.26
Rot. Bonds4

About 1-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide

1-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 4985773) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID4985773
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name1-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCOc1cc(C)c(S(=O)(=O)N2CCCC2C(N)=O)c(C)c1C
InChIInChI=1S/C15H22N2O4S/c1-9-8-13(21-4)10(2)11(3)14(9)22(19,20)17-7-5-6-12(17)15(16)18/h8,12H,5-7H2,1-4H3,(H2,16,18)
InChIKeyYWPKORBXNSFYBO-UHFFFAOYSA-N
XLogP1.26
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8799587
1-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 120558102
1-(4-amino-3-methoxyphenyl)sulfonylpiperidine-2-carboxamide
CID 81442189
(2R)-1-(4-methoxynaphthalen-1-yl)sulfonylpiperidine-2-carboxamide
CID 39632861
(2S)-N-[(2-methoxyphenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 30389661
5-(2-carbamoylpyrrolidin-1-yl)sulfonyl-2-methylbenzoic acid
CID 43079082
(2R)-1-(5-chloro-4-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 120606502
(2R)-1-(3-bromo-5-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 99856807
N'-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpiperidine-1-carboximidamide
CID 10958727
3-(2-carbamoylpiperidin-1-yl)sulfonyl-4-methylthiophene-2-carboxylic acid
CID 102748132
N-cyclopropyl-1-(4,5-dimethoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 42955237
[(2S)-1-(2-methoxy-4,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 110285957

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide (CID 4985773) is 1-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide is COc1cc(C)c(S(=O)(=O)N2CCCC2C(N)=O)c(C)c1C.
What is the InChIKey of 1-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is YWPKORBXNSFYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-9-8-13(21-4)10(2)11(3)14(9)22(19,20)17-7-5-6-12(17)15(16)18/h8,12H,5-7H2,1-4H3,(H2,16,18).
What are the key properties of 1-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide?
1-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 4985773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).