2-[tert-butyl(methylsulfonyl)amino]-N-(4-ethylphenyl)acetamide

C15H24N2O3S — CID 113152930

IUPAC2-[tert-butyl(methylsulfonyl)amino]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CN(C(C)(C)C)S(C)(=O)=O)cc1
InChIInChI=1S/C15H24N2O3S/c1-6-12-7-9-13(10-8-12)16-14(18)11-17(15(2,3)4)21(5,19)20/h7-10H,6,11H2,1-5H3,(H,16,18)
InChIKeyMBZFUUIYKPAYKR-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.25
Rot. Bonds5

About 2-[tert-butyl(methylsulfonyl)amino]-N-(4-ethylphenyl)acetamide

2-[tert-butyl(methylsulfonyl)amino]-N-(4-ethylphenyl)acetamide (PubChem CID 113152930) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-[tert-butyl(methylsulfonyl)amino]-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[tert-butyl(methylsulfonyl)amino]-N-(4-ethylphenyl)acetamide
PubChem CID113152930
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2-[tert-butyl(methylsulfonyl)amino]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CN(C(C)(C)C)S(C)(=O)=O)cc1
InChIInChI=1S/C15H24N2O3S/c1-6-12-7-9-13(10-8-12)16-14(18)11-17(15(2,3)4)21(5,19)20/h7-10H,6,11H2,1-5H3,(H,16,18)
InChIKeyMBZFUUIYKPAYKR-UHFFFAOYSA-N
XLogP2.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylphenyl)-2-[methylsulfonyl(propyl)amino]acetamide
CID 113147556
2-[tert-butyl(methylsulfonyl)amino]-N-(3,5-dichlorophenyl)acetamide
CID 113153008
2-[tert-butyl(methylsulfonyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide
CID 113152949
2-[tert-butyl(methylsulfonyl)amino]-N-(3-chlorophenyl)acetamide
CID 113152943
N-[4-(dimethylamino)phenyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 113154194
2-(2-ethyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide
CID 113154121
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-ethylphenyl)acetamide
CID 46614817
2-(diethylamino)-N-(4-ethylphenyl)acetamide;hydrochloride
CID 3026065
2-(4-ethyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 951908
2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide
CID 23792597
2-(3-acetyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide
CID 3324324
N-(4-ethylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30262204

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(methylsulfonyl)amino]-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-[tert-butyl(methylsulfonyl)amino]-N-(4-ethylphenyl)acetamide (CID 113152930) is 2-[tert-butyl(methylsulfonyl)amino]-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-[tert-butyl(methylsulfonyl)amino]-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-[tert-butyl(methylsulfonyl)amino]-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)CN(C(C)(C)C)S(C)(=O)=O)cc1.
What is the InChIKey of 2-[tert-butyl(methylsulfonyl)amino]-N-(4-ethylphenyl)acetamide?
The InChIKey is MBZFUUIYKPAYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-6-12-7-9-13(10-8-12)16-14(18)11-17(15(2,3)4)21(5,19)20/h7-10H,6,11H2,1-5H3,(H,16,18).
What are the key properties of 2-[tert-butyl(methylsulfonyl)amino]-N-(4-ethylphenyl)acetamide?
2-[tert-butyl(methylsulfonyl)amino]-N-(4-ethylphenyl)acetamide has a molecular weight of 312.44 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(methylsulfonyl)amino]-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 113152930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).