N-[2,4-dimethoxy-5-[(2R)-2-methylpyrrolidin-1-yl]sulfonylphenyl]acetamide

C15H22N2O5S — CID 118732955

IUPACN-[2,4-dimethoxy-5-[(2R)-2-methylpyrrolidin-1-yl]sulfonylphenyl]acetamide
SMILESCOc1cc(OC)c(S(=O)(=O)N2CCC[C@H]2C)cc1NC(C)=O
InChIInChI=1S/C15H22N2O5S/c1-10-6-5-7-17(10)23(19,20)15-8-12(16-11(2)18)13(21-3)9-14(15)22-4/h8-10H,5-7H2,1-4H3,(H,16,18)/t10-/m1/s1
InChIKeyVDICFNLNSAAOEC-SNVBAGLBSA-N
MW342.42 g/mol
LogP1.84
Rot. Bonds5

About N-[2,4-dimethoxy-5-[(2R)-2-methylpyrrolidin-1-yl]sulfonylphenyl]acetamide

N-[2,4-dimethoxy-5-[(2R)-2-methylpyrrolidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 118732955) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[2,4-dimethoxy-5-[(2R)-2-methylpyrrolidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[2,4-dimethoxy-5-[(2R)-2-methylpyrrolidin-1-yl]sulfonylphenyl]acetamide
PubChem CID118732955
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-[2,4-dimethoxy-5-[(2R)-2-methylpyrrolidin-1-yl]sulfonylphenyl]acetamide
SMILESCOc1cc(OC)c(S(=O)(=O)N2CCC[C@H]2C)cc1NC(C)=O
InChIInChI=1S/C15H22N2O5S/c1-10-6-5-7-17(10)23(19,20)15-8-12(16-11(2)18)13(21-3)9-14(15)22-4/h8-10H,5-7H2,1-4H3,(H,16,18)/t10-/m1/s1
InChIKeyVDICFNLNSAAOEC-SNVBAGLBSA-N
XLogP1.84
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2,4-dimethoxy-5-[(2R)-2-methylpyrrolidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[2,4-dimethoxy-5-[(2R)-2-methylpyrrolidin-1-yl]sulfonylphenyl]acetamide (CID 118732955) is N-[2,4-dimethoxy-5-[(2R)-2-methylpyrrolidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[2,4-dimethoxy-5-[(2R)-2-methylpyrrolidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[2,4-dimethoxy-5-[(2R)-2-methylpyrrolidin-1-yl]sulfonylphenyl]acetamide is COc1cc(OC)c(S(=O)(=O)N2CCC[C@H]2C)cc1NC(C)=O.
What is the InChIKey of N-[2,4-dimethoxy-5-[(2R)-2-methylpyrrolidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is VDICFNLNSAAOEC-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-10-6-5-7-17(10)23(19,20)15-8-12(16-11(2)18)13(21-3)9-14(15)22-4/h8-10H,5-7H2,1-4H3,(H,16,18)/t10-/m1/s1.
What are the key properties of N-[2,4-dimethoxy-5-[(2R)-2-methylpyrrolidin-1-yl]sulfonylphenyl]acetamide?
N-[2,4-dimethoxy-5-[(2R)-2-methylpyrrolidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 342.42 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-dimethoxy-5-[(2R)-2-methylpyrrolidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 118732955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).