N-(2,6-dimethylphenyl)-2-(2-oxo-3-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide

C19H23N3O4S — CID 53161868

IUPACN-(2,6-dimethylphenyl)-2-(2-oxo-3-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
SMILESCc1cccc(C)c1NC(=O)Cn1cccc(S(=O)(=O)N2CCCC2)c1=O
InChIInChI=1S/C19H23N3O4S/c1-14-7-5-8-15(2)18(14)20-17(23)13-21-10-6-9-16(19(21)24)27(25,26)22-11-3-4-12-22/h5-10H,3-4,11-13H2,1-2H3,(H,20,23)
InChIKeyNRGXZLUXFGVXJI-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.89
Rot. Bonds5

About N-(2,6-dimethylphenyl)-2-(2-oxo-3-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide

N-(2,6-dimethylphenyl)-2-(2-oxo-3-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide (PubChem CID 53161868) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(2-oxo-3-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(2-oxo-3-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
PubChem CID53161868
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-(2,6-dimethylphenyl)-2-(2-oxo-3-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
SMILESCc1cccc(C)c1NC(=O)Cn1cccc(S(=O)(=O)N2CCCC2)c1=O
InChIInChI=1S/C19H23N3O4S/c1-14-7-5-8-15(2)18(14)20-17(23)13-21-10-6-9-16(19(21)24)27(25,26)22-11-3-4-12-22/h5-10H,3-4,11-13H2,1-2H3,(H,20,23)
InChIKeyNRGXZLUXFGVXJI-UHFFFAOYSA-N
XLogP1.89
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(2-oxo-3-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(2-oxo-3-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide (CID 53161868) is N-(2,6-dimethylphenyl)-2-(2-oxo-3-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(2-oxo-3-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(2-oxo-3-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide is Cc1cccc(C)c1NC(=O)Cn1cccc(S(=O)(=O)N2CCCC2)c1=O.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(2-oxo-3-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide?
The InChIKey is NRGXZLUXFGVXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-14-7-5-8-15(2)18(14)20-17(23)13-21-10-6-9-16(19(21)24)27(25,26)22-11-3-4-12-22/h5-10H,3-4,11-13H2,1-2H3,(H,20,23).
What are the key properties of N-(2,6-dimethylphenyl)-2-(2-oxo-3-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide?
N-(2,6-dimethylphenyl)-2-(2-oxo-3-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide has a molecular weight of 389.48 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(2-oxo-3-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide is sourced from PubChem (CID 53161868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).