N-tert-butyl-2-[methylsulfonyl(1-phenylethyl)amino]acetamide

C15H24N2O3S — CID 113150856

IUPACN-tert-butyl-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
SMILESCC(c1ccccc1)N(CC(=O)NC(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-12(13-9-7-6-8-10-13)17(21(5,19)20)11-14(18)16-15(2,3)4/h6-10,12H,11H2,1-5H3,(H,16,18)
InChIKeyYZVAAFGMESIGDZ-UHFFFAOYSA-N
MW312.43 g/mol
LogP1.92
Rot. Bonds5

About N-tert-butyl-2-[methylsulfonyl(1-phenylethyl)amino]acetamide

N-tert-butyl-2-[methylsulfonyl(1-phenylethyl)amino]acetamide (PubChem CID 113150856) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is N-tert-butyl-2-[methylsulfonyl(1-phenylethyl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
PubChem CID113150856
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC NameN-tert-butyl-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
SMILESCC(c1ccccc1)N(CC(=O)NC(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-12(13-9-7-6-8-10-13)17(21(5,19)20)11-14(18)16-15(2,3)4/h6-10,12H,11H2,1-5H3,(H,16,18)
InChIKeyYZVAAFGMESIGDZ-UHFFFAOYSA-N
XLogP1.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbutyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
CID 113150859
N-cyclopentyl-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
CID 113150806
N-(2-methoxyethyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
CID 113150811
N-(5-chloro-2-methylphenyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
CID 113150897
N-tert-butyl-2-[methyl-[2-[methyl(1-phenylethyl)amino]acetyl]amino]acetamide
CID 51226996
N-tert-butyl-2-(N-methylsulfonylanilino)acetamide
CID 51343017
N-(5-methyl-1,2-oxazol-3-yl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
CID 113150936
2-[methylsulfonyl(1-phenylethyl)amino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 113150910
N-(2-methylphenyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide
CID 113139129
N-tert-butyl-2-[[(2R)-2-hydroxy-2-phenylethyl]-methylamino]acetamide
CID 34900161
N-tert-butyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 28564730
N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]-2-phenoxyacetamide
CID 113066843

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[methylsulfonyl(1-phenylethyl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[methylsulfonyl(1-phenylethyl)amino]acetamide (CID 113150856) is N-tert-butyl-2-[methylsulfonyl(1-phenylethyl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[methylsulfonyl(1-phenylethyl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[methylsulfonyl(1-phenylethyl)amino]acetamide is CC(c1ccccc1)N(CC(=O)NC(C)(C)C)S(C)(=O)=O.
What is the InChIKey of N-tert-butyl-2-[methylsulfonyl(1-phenylethyl)amino]acetamide?
The InChIKey is YZVAAFGMESIGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-12(13-9-7-6-8-10-13)17(21(5,19)20)11-14(18)16-15(2,3)4/h6-10,12H,11H2,1-5H3,(H,16,18).
What are the key properties of N-tert-butyl-2-[methylsulfonyl(1-phenylethyl)amino]acetamide?
N-tert-butyl-2-[methylsulfonyl(1-phenylethyl)amino]acetamide has a molecular weight of 312.43 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[methylsulfonyl(1-phenylethyl)amino]acetamide is sourced from PubChem (CID 113150856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).