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

C17H28N2O3S — CID 113143125

IUPACN-butan-2-yl-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
SMILESCCC(C)NC(=O)CCN(c1c(C)cc(C)cc1C)S(C)(=O)=O
InChIInChI=1S/C17H28N2O3S/c1-7-15(5)18-16(20)8-9-19(23(6,21)22)17-13(3)10-12(2)11-14(17)4/h10-11,15H,7-9H2,1-6H3,(H,18,20)
InChIKeyKPYYBOAEOJKHBC-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.68
Rot. Bonds7

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

N-butan-2-yl-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide (PubChem CID 113143125) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is N-butan-2-yl-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
PubChem CID113143125
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC NameN-butan-2-yl-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
SMILESCCC(C)NC(=O)CCN(c1c(C)cc(C)cc1C)S(C)(=O)=O
InChIInChI=1S/C17H28N2O3S/c1-7-15(5)18-16(20)8-9-19(23(6,21)22)17-13(3)10-12(2)11-14(17)4/h10-11,15H,7-9H2,1-6H3,(H,18,20)
InChIKeyKPYYBOAEOJKHBC-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpropyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143124
3-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-butan-2-ylpropanamide
CID 113146090
N-butan-2-yl-3-(4-chloro-N-methylsulfonylanilino)propanamide
CID 113143863
N-butan-2-yl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 43891593
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-butan-2-yl-3-(2,4-dimethoxy-N-methylsulfonylanilino)propanamide
CID 113145132
N-[3-(dimethylamino)propyl]-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143138
4-(3,5-dimethyl-N-methylsulfonylanilino)-N-[(2S)-pentan-2-yl]butanamide
CID 100539205
N-butan-2-yl-3-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide
CID 113145244
N-[(2R)-3-methylbutan-2-yl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 125072566
N-butan-2-yl-3-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 113145878

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-butan-2-yl-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide (CID 113143125) is N-butan-2-yl-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-butan-2-yl-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-butan-2-yl-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide is CCC(C)NC(=O)CCN(c1c(C)cc(C)cc1C)S(C)(=O)=O.
What is the InChIKey of N-butan-2-yl-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide?
The InChIKey is KPYYBOAEOJKHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-7-15(5)18-16(20)8-9-19(23(6,21)22)17-13(3)10-12(2)11-14(17)4/h10-11,15H,7-9H2,1-6H3,(H,18,20).
What are the key properties of N-butan-2-yl-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide?
N-butan-2-yl-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide has a molecular weight of 340.49 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 113143125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).