N-(2-methylpropyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide

C17H28N2O3S — CID 113143124

IUPACN-(2-methylpropyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
SMILESCc1cc(C)c(N(CCC(=O)NCC(C)C)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C17H28N2O3S/c1-12(2)11-18-16(20)7-8-19(23(6,21)22)17-14(4)9-13(3)10-15(17)5/h9-10,12H,7-8,11H2,1-6H3,(H,18,20)
InChIKeyIFHLTTAOBNGARF-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.54
Rot. Bonds7

About N-(2-methylpropyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide

N-(2-methylpropyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide (PubChem CID 113143124) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
PubChem CID113143124
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC NameN-(2-methylpropyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
SMILESCc1cc(C)c(N(CCC(=O)NCC(C)C)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C17H28N2O3S/c1-12(2)11-18-16(20)7-8-19(23(6,21)22)17-14(4)9-13(3)10-15(17)5/h9-10,12H,7-8,11H2,1-6H3,(H,18,20)
InChIKeyIFHLTTAOBNGARF-UHFFFAOYSA-N
XLogP2.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143125
N-[3-(dimethylamino)propyl]-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143138
N-(2-phenylethyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143155
N-(4-methylphenyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143169
N-phenyl-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143166
N-(furan-2-ylmethyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143143
3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide
CID 113142057
N-(2-methylpropyl)-3-(N-methylsulfonyl-4-propan-2-yloxyanilino)propanamide
CID 113145049
3-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(2-methylpropyl)propanamide
CID 113138964
N-(2-methylpropyl)-3-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide
CID 113145243
3-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide
CID 113144856
N-(3,4-difluorophenyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143195

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(2-methylpropyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide (CID 113143124) is N-(2-methylpropyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(2-methylpropyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(2-methylpropyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide is Cc1cc(C)c(N(CCC(=O)NCC(C)C)S(C)(=O)=O)c(C)c1.
What is the InChIKey of N-(2-methylpropyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide?
The InChIKey is IFHLTTAOBNGARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-12(2)11-18-16(20)7-8-19(23(6,21)22)17-14(4)9-13(3)10-15(17)5/h9-10,12H,7-8,11H2,1-6H3,(H,18,20).
What are the key properties of N-(2-methylpropyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide?
N-(2-methylpropyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide has a molecular weight of 340.49 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 113143124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).