2-methyl-N-[1-(4-methylsulfonylphenyl)propyl]propanamide

C14H21NO3S — CID 133265262

IUPAC2-methyl-N-[1-(4-methylsulfonylphenyl)propyl]propanamide
SMILESCCC(NC(=O)C(C)C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H21NO3S/c1-5-13(15-14(16)10(2)3)11-6-8-12(9-7-11)19(4,17)18/h6-10,13H,5H2,1-4H3,(H,15,16)
InChIKeyUJWCZHYNSXBZQW-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.31
Rot. Bonds5

About 2-methyl-N-[1-(4-methylsulfonylphenyl)propyl]propanamide

2-methyl-N-[1-(4-methylsulfonylphenyl)propyl]propanamide (PubChem CID 133265262) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 2-methyl-N-[1-(4-methylsulfonylphenyl)propyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-(4-methylsulfonylphenyl)propyl]propanamide
PubChem CID133265262
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name2-methyl-N-[1-(4-methylsulfonylphenyl)propyl]propanamide
SMILESCCC(NC(=O)C(C)C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H21NO3S/c1-5-13(15-14(16)10(2)3)11-6-8-12(9-7-11)19(4,17)18/h6-10,13H,5H2,1-4H3,(H,15,16)
InChIKeyUJWCZHYNSXBZQW-UHFFFAOYSA-N
XLogP2.31
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 95358385
2,2-dimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide
CID 95706556
(2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide
CID 100724187
2-[(2-fluorophenyl)methylsulfanyl]-N-[1-(4-methylsulfonylphenyl)propyl]acetamide
CID 132660181
(2S)-2-[methyl(methylsulfonyl)amino]-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]-2-phenylacetamide
CID 125054362
1-[1-(4-methylsulfonylphenyl)propyl]-3-phenylurea
CID 50944728
N-[1-(4-methylsulfonylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133202798
(2S)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100588926
(2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide
CID 100540592
2-(3-methoxyphenoxy)-N-[1-(4-methylsulfonylphenyl)propyl]butanamide
CID 132662597
2-iodo-N-[1-(4-methylsulfonylphenyl)propyl]benzamide
CID 132672756
3,4-dimethyl-N-[1-(4-methylsulfonylphenyl)propyl]benzamide
CID 133161748

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(4-methylsulfonylphenyl)propyl]propanamide?
The IUPAC name of 2-methyl-N-[1-(4-methylsulfonylphenyl)propyl]propanamide (CID 133265262) is 2-methyl-N-[1-(4-methylsulfonylphenyl)propyl]propanamide.
What is the SMILES notation for 2-methyl-N-[1-(4-methylsulfonylphenyl)propyl]propanamide?
The canonical SMILES for 2-methyl-N-[1-(4-methylsulfonylphenyl)propyl]propanamide is CCC(NC(=O)C(C)C)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-methyl-N-[1-(4-methylsulfonylphenyl)propyl]propanamide?
The InChIKey is UJWCZHYNSXBZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-5-13(15-14(16)10(2)3)11-6-8-12(9-7-11)19(4,17)18/h6-10,13H,5H2,1-4H3,(H,15,16).
What are the key properties of 2-methyl-N-[1-(4-methylsulfonylphenyl)propyl]propanamide?
2-methyl-N-[1-(4-methylsulfonylphenyl)propyl]propanamide has a molecular weight of 283.39 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(4-methylsulfonylphenyl)propyl]propanamide is sourced from PubChem (CID 133265262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).