N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2-phenylacetamide

C15H24N2O3S — CID 113068029

IUPACN-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2-phenylacetamide
SMILESCC(C)(C)N(CCNC(=O)Cc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-15(2,3)17(21(4,19)20)11-10-16-14(18)12-13-8-6-5-7-9-13/h5-9H,10-12H2,1-4H3,(H,16,18)
InChIKeyDFSDLJFXSJHXTQ-UHFFFAOYSA-N
MW312.43 g/mol
LogP1.41
Rot. Bonds6

About N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2-phenylacetamide

N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2-phenylacetamide (PubChem CID 113068029) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2-phenylacetamide
PubChem CID113068029
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC NameN-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2-phenylacetamide
SMILESCC(C)(C)N(CCNC(=O)Cc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-15(2,3)17(21(4,19)20)11-10-16-14(18)12-13-8-6-5-7-9-13/h5-9H,10-12H2,1-4H3,(H,16,18)
InChIKeyDFSDLJFXSJHXTQ-UHFFFAOYSA-N
XLogP1.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[acetyl(tert-butyl)amino]ethyl]-2-phenylacetamide
CID 113056581
N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-phenylacetamide
CID 113068921
N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]-2-phenylacetamide
CID 113071035
N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-2-phenylacetamide
CID 113066708
2-(4-methylphenyl)-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]acetamide
CID 113067963
N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]-2-phenylacetamide
CID 113067268
N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]-2-phenylacetamide
CID 113070755
3-[tert-butyl(methylsulfonyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113140802
2,2-dimethyl-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]propanamide
CID 113067937
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2-phenylacetamide
CID 113059109
N-benzyl-3-[tert-butyl(methylsulfonyl)amino]-N-phenylpropanamide
CID 113140923
N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 113068036

Frequently Asked Questions

What is the IUPAC name of N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2-phenylacetamide?
The IUPAC name of N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2-phenylacetamide (CID 113068029) is N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2-phenylacetamide is CC(C)(C)N(CCNC(=O)Cc1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2-phenylacetamide?
The InChIKey is DFSDLJFXSJHXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-15(2,3)17(21(4,19)20)11-10-16-14(18)12-13-8-6-5-7-9-13/h5-9H,10-12H2,1-4H3,(H,16,18).
What are the key properties of N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2-phenylacetamide?
N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2-phenylacetamide has a molecular weight of 312.43 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2-phenylacetamide is sourced from PubChem (CID 113068029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).