2-acetamido-4-methylsulfonyl-N-naphthalen-1-ylbutanamide

C17H20N2O4S — CID 4155260

IUPAC2-acetamido-4-methylsulfonyl-N-naphthalen-1-ylbutanamide
SMILESCC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C17H20N2O4S/c1-12(20)18-16(10-11-24(2,22)23)17(21)19-15-9-5-7-13-6-3-4-8-14(13)15/h3-9,16H,10-11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyFBOPYEBTQPJQJA-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.72
Rot. Bonds6

About 2-acetamido-4-methylsulfonyl-N-naphthalen-1-ylbutanamide

2-acetamido-4-methylsulfonyl-N-naphthalen-1-ylbutanamide (PubChem CID 4155260) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-acetamido-4-methylsulfonyl-N-naphthalen-1-ylbutanamide.

Molecular Properties

Compound Name2-acetamido-4-methylsulfonyl-N-naphthalen-1-ylbutanamide
PubChem CID4155260
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name2-acetamido-4-methylsulfonyl-N-naphthalen-1-ylbutanamide
SMILESCC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C17H20N2O4S/c1-12(20)18-16(10-11-24(2,22)23)17(21)19-15-9-5-7-13-6-3-4-8-14(13)15/h3-9,16H,10-11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyFBOPYEBTQPJQJA-UHFFFAOYSA-N
XLogP1.72
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-4-methylsulfonyl-N-naphthalen-1-ylbutanamide?
The IUPAC name of 2-acetamido-4-methylsulfonyl-N-naphthalen-1-ylbutanamide (CID 4155260) is 2-acetamido-4-methylsulfonyl-N-naphthalen-1-ylbutanamide.
What is the SMILES notation for 2-acetamido-4-methylsulfonyl-N-naphthalen-1-ylbutanamide?
The canonical SMILES for 2-acetamido-4-methylsulfonyl-N-naphthalen-1-ylbutanamide is CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of 2-acetamido-4-methylsulfonyl-N-naphthalen-1-ylbutanamide?
The InChIKey is FBOPYEBTQPJQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-12(20)18-16(10-11-24(2,22)23)17(21)19-15-9-5-7-13-6-3-4-8-14(13)15/h3-9,16H,10-11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 2-acetamido-4-methylsulfonyl-N-naphthalen-1-ylbutanamide?
2-acetamido-4-methylsulfonyl-N-naphthalen-1-ylbutanamide has a molecular weight of 348.42 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-4-methylsulfonyl-N-naphthalen-1-ylbutanamide is sourced from PubChem (CID 4155260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).