2,2-dimethyl-N-[4-(3-methylsulfanylpropanoylamino)phenyl]propanamide

C15H22N2O2S — CID 24647281

IUPAC2,2-dimethyl-N-[4-(3-methylsulfanylpropanoylamino)phenyl]propanamide
SMILESCSCCC(=O)Nc1ccc(NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C15H22N2O2S/c1-15(2,3)14(19)17-12-7-5-11(6-8-12)16-13(18)9-10-20-4/h5-8H,9-10H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyZHEXBNDZDLEQOB-UHFFFAOYSA-N
MW294.42 g/mol
LogP3.36
Rot. Bonds5

About 2,2-dimethyl-N-[4-(3-methylsulfanylpropanoylamino)phenyl]propanamide

2,2-dimethyl-N-[4-(3-methylsulfanylpropanoylamino)phenyl]propanamide (PubChem CID 24647281) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-(3-methylsulfanylpropanoylamino)phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-(3-methylsulfanylpropanoylamino)phenyl]propanamide
PubChem CID24647281
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name2,2-dimethyl-N-[4-(3-methylsulfanylpropanoylamino)phenyl]propanamide
SMILESCSCCC(=O)Nc1ccc(NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C15H22N2O2S/c1-15(2,3)14(19)17-12-7-5-11(6-8-12)16-13(18)9-10-20-4/h5-8H,9-10H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyZHEXBNDZDLEQOB-UHFFFAOYSA-N
XLogP3.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-3-methylsulfanylpropanamide
CID 43082407
3-methylsulfanyl-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 18165019
N-[4-(4-bromophenoxy)phenyl]-3-methylsulfanylpropanamide
CID 9342917
N-[4-(3-aminobutanoylamino)phenyl]-2,2-dimethylpropanamide
CID 61254421
3-methylsulfanyl-N-[4-(2-oxo-1-pyridinyl)phenyl]propanamide
CID 70346946
5-(tert-butylsulfonylamino)-N-[4-(2,2-dimethylpropanoylamino)phenyl]pentanamide
CID 58958265
N-[4-[3-(2,4-dimethylphenyl)propanoylamino]phenyl]-2,2-dimethylpropanamide
CID 24647268
N-[4-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2,2-dimethylpropanamide
CID 24641729
N-[4-[[4-[[4-(2,2-dimethylpropanoylamino)anilino]methyl]phenyl]methylamino]phenyl]-2,2-dimethylpropanamide
CID 155301754
2,2-dimethyl-N-[4-(sulfanylmethyl)phenyl]propanamide
CID 176900093
5-methylsulfanyl-N-phenylpentanamide
CID 57105237
2,2-dimethyl-N-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]propanamide
CID 858395

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-(3-methylsulfanylpropanoylamino)phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-(3-methylsulfanylpropanoylamino)phenyl]propanamide (CID 24647281) is 2,2-dimethyl-N-[4-(3-methylsulfanylpropanoylamino)phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-(3-methylsulfanylpropanoylamino)phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-(3-methylsulfanylpropanoylamino)phenyl]propanamide is CSCCC(=O)Nc1ccc(NC(=O)C(C)(C)C)cc1.
What is the InChIKey of 2,2-dimethyl-N-[4-(3-methylsulfanylpropanoylamino)phenyl]propanamide?
The InChIKey is ZHEXBNDZDLEQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-15(2,3)14(19)17-12-7-5-11(6-8-12)16-13(18)9-10-20-4/h5-8H,9-10H2,1-4H3,(H,16,18)(H,17,19).
What are the key properties of 2,2-dimethyl-N-[4-(3-methylsulfanylpropanoylamino)phenyl]propanamide?
2,2-dimethyl-N-[4-(3-methylsulfanylpropanoylamino)phenyl]propanamide has a molecular weight of 294.42 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-(3-methylsulfanylpropanoylamino)phenyl]propanamide is sourced from PubChem (CID 24647281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).