N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-2-methylsulfonylpropanamide

C14H22N2O3S — CID 104517127

IUPACN-[4-(1-amino-2-methylpropan-2-yl)phenyl]-2-methylsulfonylpropanamide
SMILESCC(C(=O)Nc1ccc(C(C)(C)CN)cc1)S(C)(=O)=O
InChIInChI=1S/C14H22N2O3S/c1-10(20(4,18)19)13(17)16-12-7-5-11(6-8-12)14(2,3)9-15/h5-8,10H,9,15H2,1-4H3,(H,16,17)
InChIKeyLNZVPJFLPPDBBS-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.29
Rot. Bonds5

About N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-2-methylsulfonylpropanamide

N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-2-methylsulfonylpropanamide (PubChem CID 104517127) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[4-(1-amino-2-methylpropan-2-yl)phenyl]-2-methylsulfonylpropanamide
PubChem CID104517127
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-[4-(1-amino-2-methylpropan-2-yl)phenyl]-2-methylsulfonylpropanamide
SMILESCC(C(=O)Nc1ccc(C(C)(C)CN)cc1)S(C)(=O)=O
InChIInChI=1S/C14H22N2O3S/c1-10(20(4,18)19)13(17)16-12-7-5-11(6-8-12)14(2,3)9-15/h5-8,10H,9,15H2,1-4H3,(H,16,17)
InChIKeyLNZVPJFLPPDBBS-UHFFFAOYSA-N
XLogP1.29
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-2-propan-2-yloxyacetamide
CID 112601696
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CID 104520210
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylsulfonylpropanamide
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N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-methylsulfonylpropanamide
CID 120604625
2-methylsulfonyl-N-[4-(propylaminomethyl)phenyl]propanamide
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(2S)-2-propan-2-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 95665678
N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-ethoxypropanamide
CID 55091452
4-(1-amino-2-methylpropan-2-yl)-N-(2-methylpropylsulfamoyl)aniline
CID 114813837
1-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-cyclopropylurea
CID 62700602
N-[4-(cyanomethoxy)phenyl]-2-methylsulfonylpropanamide
CID 112684914
N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-4-methoxybenzamide
CID 14698593
(2S)-N-[4-(cyclohexylamino)phenyl]-2-methylsulfonylpropanamide
CID 95145385

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-2-methylsulfonylpropanamide?
The IUPAC name of N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-2-methylsulfonylpropanamide (CID 104517127) is N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-2-methylsulfonylpropanamide.
What is the SMILES notation for N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-2-methylsulfonylpropanamide?
The canonical SMILES for N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-2-methylsulfonylpropanamide is CC(C(=O)Nc1ccc(C(C)(C)CN)cc1)S(C)(=O)=O.
What is the InChIKey of N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-2-methylsulfonylpropanamide?
The InChIKey is LNZVPJFLPPDBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-10(20(4,18)19)13(17)16-12-7-5-11(6-8-12)14(2,3)9-15/h5-8,10H,9,15H2,1-4H3,(H,16,17).
What are the key properties of N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-2-methylsulfonylpropanamide?
N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-2-methylsulfonylpropanamide has a molecular weight of 298.41 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-2-methylsulfonylpropanamide is sourced from PubChem (CID 104517127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).