2-acetamido-N-(4-methoxyphenyl)-4-methylsulfonylbutanamide

C14H20N2O5S — CID 3236464

IUPAC2-acetamido-N-(4-methoxyphenyl)-4-methylsulfonylbutanamide
SMILESCOc1ccc(NC(=O)C(CCS(C)(=O)=O)NC(C)=O)cc1
InChIInChI=1S/C14H20N2O5S/c1-10(17)15-13(8-9-22(3,19)20)14(18)16-11-4-6-12(21-2)7-5-11/h4-7,13H,8-9H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyAXBFHAZNEQXXPB-UHFFFAOYSA-N
MW328.39 g/mol
LogP0.57
Rot. Bonds7

About 2-acetamido-N-(4-methoxyphenyl)-4-methylsulfonylbutanamide

2-acetamido-N-(4-methoxyphenyl)-4-methylsulfonylbutanamide (PubChem CID 3236464) has the molecular formula C14H20N2O5S and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-acetamido-N-(4-methoxyphenyl)-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-acetamido-N-(4-methoxyphenyl)-4-methylsulfonylbutanamide
PubChem CID3236464
Molecular FormulaC14H20N2O5S
Molecular Weight328.39 g/mol
Exact Mass328.11
IUPAC Name2-acetamido-N-(4-methoxyphenyl)-4-methylsulfonylbutanamide
SMILESCOc1ccc(NC(=O)C(CCS(C)(=O)=O)NC(C)=O)cc1
InChIInChI=1S/C14H20N2O5S/c1-10(17)15-13(8-9-22(3,19)20)14(18)16-11-4-6-12(21-2)7-5-11/h4-7,13H,8-9H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyAXBFHAZNEQXXPB-UHFFFAOYSA-N
XLogP0.57
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(4-methoxyphenyl)-4-methylsulfonylbutanamide?
The IUPAC name of 2-acetamido-N-(4-methoxyphenyl)-4-methylsulfonylbutanamide (CID 3236464) is 2-acetamido-N-(4-methoxyphenyl)-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-acetamido-N-(4-methoxyphenyl)-4-methylsulfonylbutanamide?
The canonical SMILES for 2-acetamido-N-(4-methoxyphenyl)-4-methylsulfonylbutanamide is COc1ccc(NC(=O)C(CCS(C)(=O)=O)NC(C)=O)cc1.
What is the InChIKey of 2-acetamido-N-(4-methoxyphenyl)-4-methylsulfonylbutanamide?
The InChIKey is AXBFHAZNEQXXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S/c1-10(17)15-13(8-9-22(3,19)20)14(18)16-11-4-6-12(21-2)7-5-11/h4-7,13H,8-9H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of 2-acetamido-N-(4-methoxyphenyl)-4-methylsulfonylbutanamide?
2-acetamido-N-(4-methoxyphenyl)-4-methylsulfonylbutanamide has a molecular weight of 328.39 g/mol, XLogP of 0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(4-methoxyphenyl)-4-methylsulfonylbutanamide is sourced from PubChem (CID 3236464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).