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

C21H28N2O3S — CID 113143155

IUPACN-(2-phenylethyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
SMILESCc1cc(C)c(N(CCC(=O)NCCc2ccccc2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C21H28N2O3S/c1-16-14-17(2)21(18(3)15-16)23(27(4,25)26)13-11-20(24)22-12-10-19-8-6-5-7-9-19/h5-9,14-15H,10-13H2,1-4H3,(H,22,24)
InChIKeyXYCVRRWMYZGXMM-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.13
Rot. Bonds8

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

N-(2-phenylethyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide (PubChem CID 113143155) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-(2-phenylethyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
PubChem CID113143155
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-(2-phenylethyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
SMILESCc1cc(C)c(N(CCC(=O)NCCc2ccccc2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C21H28N2O3S/c1-16-14-17(2)21(18(3)15-16)23(27(4,25)26)13-11-20(24)22-12-10-19-8-6-5-7-9-19/h5-9,14-15H,10-13H2,1-4H3,(H,22,24)
InChIKeyXYCVRRWMYZGXMM-UHFFFAOYSA-N
XLogP3.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143166
N-[3-(dimethylamino)propyl]-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143138
3-(2-fluoro-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide
CID 113143427
3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide
CID 113143992
3-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 113142379
N-(2-methylpropyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143124
3-[methylsulfonyl(propan-2-yl)amino]-N-(2-phenylethyl)propanamide
CID 113136085
N-(furan-2-ylmethyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143143
N-[2-(3-methoxyphenyl)ethyl]-3-(N-methylsulfonylanilino)propanamide
CID 113141472
N-(4-methylphenyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143169
3-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 113142378
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylethyl)acetamide
CID 3700532

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(2-phenylethyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide (CID 113143155) is N-(2-phenylethyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(2-phenylethyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(2-phenylethyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide is Cc1cc(C)c(N(CCC(=O)NCCc2ccccc2)S(C)(=O)=O)c(C)c1.
What is the InChIKey of N-(2-phenylethyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide?
The InChIKey is XYCVRRWMYZGXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-16-14-17(2)21(18(3)15-16)23(27(4,25)26)13-11-20(24)22-12-10-19-8-6-5-7-9-19/h5-9,14-15H,10-13H2,1-4H3,(H,22,24).
What are the key properties of N-(2-phenylethyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide?
N-(2-phenylethyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide has a molecular weight of 388.53 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 113143155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).