N-butan-2-yl-2-[(2,5-dimethylphenyl)methylsulfonyl]acetamide

C15H23NO3S — CID 42961370

IUPACN-butan-2-yl-2-[(2,5-dimethylphenyl)methylsulfonyl]acetamide
SMILESCCC(C)NC(=O)CS(=O)(=O)Cc1cc(C)ccc1C
InChIInChI=1S/C15H23NO3S/c1-5-13(4)16-15(17)10-20(18,19)9-14-8-11(2)6-7-12(14)3/h6-8,13H,5,9-10H2,1-4H3,(H,16,17)
InChIKeyZSPZBQBSXQRHJH-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.13
Rot. Bonds6

About N-butan-2-yl-2-[(2,5-dimethylphenyl)methylsulfonyl]acetamide

N-butan-2-yl-2-[(2,5-dimethylphenyl)methylsulfonyl]acetamide (PubChem CID 42961370) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-butan-2-yl-2-[(2,5-dimethylphenyl)methylsulfonyl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(2,5-dimethylphenyl)methylsulfonyl]acetamide
PubChem CID42961370
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN-butan-2-yl-2-[(2,5-dimethylphenyl)methylsulfonyl]acetamide
SMILESCCC(C)NC(=O)CS(=O)(=O)Cc1cc(C)ccc1C
InChIInChI=1S/C15H23NO3S/c1-5-13(4)16-15(17)10-20(18,19)9-14-8-11(2)6-7-12(14)3/h6-8,13H,5,9-10H2,1-4H3,(H,16,17)
InChIKeyZSPZBQBSXQRHJH-UHFFFAOYSA-N
XLogP2.13
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(2,5-dimethylphenyl)methylsulfonyl]acetamide?
The IUPAC name of N-butan-2-yl-2-[(2,5-dimethylphenyl)methylsulfonyl]acetamide (CID 42961370) is N-butan-2-yl-2-[(2,5-dimethylphenyl)methylsulfonyl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[(2,5-dimethylphenyl)methylsulfonyl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[(2,5-dimethylphenyl)methylsulfonyl]acetamide is CCC(C)NC(=O)CS(=O)(=O)Cc1cc(C)ccc1C.
What is the InChIKey of N-butan-2-yl-2-[(2,5-dimethylphenyl)methylsulfonyl]acetamide?
The InChIKey is ZSPZBQBSXQRHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-5-13(4)16-15(17)10-20(18,19)9-14-8-11(2)6-7-12(14)3/h6-8,13H,5,9-10H2,1-4H3,(H,16,17).
What are the key properties of N-butan-2-yl-2-[(2,5-dimethylphenyl)methylsulfonyl]acetamide?
N-butan-2-yl-2-[(2,5-dimethylphenyl)methylsulfonyl]acetamide has a molecular weight of 297.42 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[(2,5-dimethylphenyl)methylsulfonyl]acetamide is sourced from PubChem (CID 42961370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).