N-butan-2-yl-2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]acetamide

C16H26N2O4S — CID 113152263

IUPACN-butan-2-yl-2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
SMILESCCC(C)NC(=O)CN(CCc1ccc(OC)cc1)S(C)(=O)=O
InChIInChI=1S/C16H26N2O4S/c1-5-13(2)17-16(19)12-18(23(4,20)21)11-10-14-6-8-15(22-3)9-7-14/h6-9,13H,5,10-12H2,1-4H3,(H,17,19)
InChIKeyNEISVPOUWFSXKI-UHFFFAOYSA-N
MW342.46 g/mol
LogP1.41
Rot. Bonds9

About N-butan-2-yl-2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]acetamide

N-butan-2-yl-2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]acetamide (PubChem CID 113152263) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-butan-2-yl-2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
PubChem CID113152263
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC NameN-butan-2-yl-2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
SMILESCCC(C)NC(=O)CN(CCc1ccc(OC)cc1)S(C)(=O)=O
InChIInChI=1S/C16H26N2O4S/c1-5-13(2)17-16(19)12-18(23(4,20)21)11-10-14-6-8-15(22-3)9-7-14/h6-9,13H,5,10-12H2,1-4H3,(H,17,19)
InChIKeyNEISVPOUWFSXKI-UHFFFAOYSA-N
XLogP1.41
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]acetamide
CID 113152008
N-butan-2-yl-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 43891595
N-butan-2-yl-3-(4-methoxyphenyl)propanamide
CID 4681975
2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 113152600
2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-propan-2-ylacetamide
CID 113152184
2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]-N-(2-methylphenyl)acetamide
CID 113152301
N-(2-chlorophenyl)-2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152317
2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(2R)-butan-2-yl]acetamide
CID 92517973
N-butan-2-yl-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide
CID 113150085
2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]-N-methyl-N-phenylacetamide
CID 113152304
N-tert-butyl-3-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]propanamide
CID 113140479
N-[[(2R)-butan-2-yl]carbamoyl]-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761110

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]acetamide?
The IUPAC name of N-butan-2-yl-2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]acetamide (CID 113152263) is N-butan-2-yl-2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]acetamide?
The canonical SMILES for N-butan-2-yl-2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]acetamide is CCC(C)NC(=O)CN(CCc1ccc(OC)cc1)S(C)(=O)=O.
What is the InChIKey of N-butan-2-yl-2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]acetamide?
The InChIKey is NEISVPOUWFSXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-5-13(2)17-16(19)12-18(23(4,20)21)11-10-14-6-8-15(22-3)9-7-14/h6-9,13H,5,10-12H2,1-4H3,(H,17,19).
What are the key properties of N-butan-2-yl-2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]acetamide?
N-butan-2-yl-2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]acetamide has a molecular weight of 342.46 g/mol, XLogP of 1.41, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]acetamide is sourced from PubChem (CID 113152263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).