N-(4-butylphenyl)-3-methylsulfonylpropanamide

C14H21NO3S — CID 127504583

IUPACN-(4-butylphenyl)-3-methylsulfonylpropanamide
SMILESCCCCc1ccc(NC(=O)CCS(C)(=O)=O)cc1
InChIInChI=1S/C14H21NO3S/c1-3-4-5-12-6-8-13(9-7-12)15-14(16)10-11-19(2,17)18/h6-9H,3-5,10-11H2,1-2H3,(H,15,16)
InChIKeyNWLSSADOIZHPCR-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.40
Rot. Bonds7

About N-(4-butylphenyl)-3-methylsulfonylpropanamide

N-(4-butylphenyl)-3-methylsulfonylpropanamide (PubChem CID 127504583) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is N-(4-butylphenyl)-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-3-methylsulfonylpropanamide
PubChem CID127504583
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC NameN-(4-butylphenyl)-3-methylsulfonylpropanamide
SMILESCCCCc1ccc(NC(=O)CCS(C)(=O)=O)cc1
InChIInChI=1S/C14H21NO3S/c1-3-4-5-12-6-8-13(9-7-12)15-14(16)10-11-19(2,17)18/h6-9H,3-5,10-11H2,1-2H3,(H,15,16)
InChIKeyNWLSSADOIZHPCR-UHFFFAOYSA-N
XLogP2.40
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-butylphenyl)-3-(4-chlorophenyl)sulfonylpropanamide
CID 2477289
N-(4-butylphenyl)-4-phenylbutanamide
CID 7313944
N-(4-heptylphenyl)heptanamide
CID 101077737
N-(4-butylphenyl)-6-(propan-2-ylsulfonylamino)hexanamide
CID 20630493
N,N'-bis(4-butylphenyl)oxamide
CID 3438016
(2S)-2-acetamido-N-(4-butylphenyl)-4-methylsulfonylbutanamide
CID 7100791
4-amino-N-(4-pentylphenyl)butanamide
CID 61248586
N-[4-(aminomethyl)phenyl]-3-butylsulfonylpropanamide
CID 64696802
N-(4-butylphenyl)-5-oxo-5-phenylpentanamide
CID 108796131
N-(4-butylphenyl)-3-cyclopentylpropanamide
CID 4076618
5-(butan-2-ylsulfonylamino)-N-(4-butylphenyl)pentanamide
CID 20630489
ethyl 4-(3-methylsulfonylpropanoylamino)benzoate
CID 43423779

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-3-methylsulfonylpropanamide?
The IUPAC name of N-(4-butylphenyl)-3-methylsulfonylpropanamide (CID 127504583) is N-(4-butylphenyl)-3-methylsulfonylpropanamide.
What is the SMILES notation for N-(4-butylphenyl)-3-methylsulfonylpropanamide?
The canonical SMILES for N-(4-butylphenyl)-3-methylsulfonylpropanamide is CCCCc1ccc(NC(=O)CCS(C)(=O)=O)cc1.
What is the InChIKey of N-(4-butylphenyl)-3-methylsulfonylpropanamide?
The InChIKey is NWLSSADOIZHPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-3-4-5-12-6-8-13(9-7-12)15-14(16)10-11-19(2,17)18/h6-9H,3-5,10-11H2,1-2H3,(H,15,16).
What are the key properties of N-(4-butylphenyl)-3-methylsulfonylpropanamide?
N-(4-butylphenyl)-3-methylsulfonylpropanamide has a molecular weight of 283.39 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-3-methylsulfonylpropanamide is sourced from PubChem (CID 127504583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).