2-methyl-N-(4-methylsulfonylphenyl)butanamide

C12H17NO3S — CID 51331498

IUPAC2-methyl-N-(4-methylsulfonylphenyl)butanamide
SMILESCCC(C)C(=O)Nc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C12H17NO3S/c1-4-9(2)12(14)13-10-5-7-11(8-6-10)17(3,15)16/h5-9H,4H2,1-3H3,(H,13,14)
InChIKeyKOGNQXDBRPBATE-UHFFFAOYSA-N
MW255.34 g/mol
LogP2.07
Rot. Bonds4

About 2-methyl-N-(4-methylsulfonylphenyl)butanamide

2-methyl-N-(4-methylsulfonylphenyl)butanamide (PubChem CID 51331498) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-methyl-N-(4-methylsulfonylphenyl)butanamide.

Molecular Properties

Compound Name2-methyl-N-(4-methylsulfonylphenyl)butanamide
PubChem CID51331498
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name2-methyl-N-(4-methylsulfonylphenyl)butanamide
SMILESCCC(C)C(=O)Nc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C12H17NO3S/c1-4-9(2)12(14)13-10-5-7-11(8-6-10)17(3,15)16/h5-9H,4H2,1-3H3,(H,13,14)
InChIKeyKOGNQXDBRPBATE-UHFFFAOYSA-N
XLogP2.07
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-amino-3-methyl-N-(4-methylsulfonylphenyl)pentanamide
CID 61148897
(2S)-N-(4-acetamidophenyl)-2-methylbutanamide
CID 837961
(2S)-N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-methylbutanamide
CID 40932274
2-methoxy-N-(4-methylsulfonylphenyl)propanamide
CID 47300837
(2S)-2-amino-4-methyl-N-(4-methylsulfonylphenyl)pentanamide
CID 61148804
2-methyl-N-[(4-methylsulfonylphenyl)methyl]butanamide
CID 47191115
(2S)-N-(4-fluorophenyl)-2-methylbutanamide
CID 838022
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-2-methylbutanamide
CID 51331716
3-amino-N-(4-ethylsulfonylphenyl)-2-methylpropanamide
CID 62669246
(2S)-2-amino-3-hydroxy-N-(4-methylsulfonylphenyl)propanamide;hydrochloride
CID 67615409
2-acetamido-N-(4-methylsulfonylphenyl)-3-sulfanylpropanamide
CID 107769049
(2R)-2-methyl-N-(4-sulfamoylphenyl)pentanamide
CID 670213

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methylsulfonylphenyl)butanamide?
The IUPAC name of 2-methyl-N-(4-methylsulfonylphenyl)butanamide (CID 51331498) is 2-methyl-N-(4-methylsulfonylphenyl)butanamide.
What is the SMILES notation for 2-methyl-N-(4-methylsulfonylphenyl)butanamide?
The canonical SMILES for 2-methyl-N-(4-methylsulfonylphenyl)butanamide is CCC(C)C(=O)Nc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-methyl-N-(4-methylsulfonylphenyl)butanamide?
The InChIKey is KOGNQXDBRPBATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-4-9(2)12(14)13-10-5-7-11(8-6-10)17(3,15)16/h5-9H,4H2,1-3H3,(H,13,14).
What are the key properties of 2-methyl-N-(4-methylsulfonylphenyl)butanamide?
2-methyl-N-(4-methylsulfonylphenyl)butanamide has a molecular weight of 255.34 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methylsulfonylphenyl)butanamide is sourced from PubChem (CID 51331498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).