2-(3-acetyl-N-methylsulfonylanilino)-N-tert-butylacetamide

C15H22N2O4S — CID 3538765

IUPAC2-(3-acetyl-N-methylsulfonylanilino)-N-tert-butylacetamide
SMILESCC(=O)c1cccc(N(CC(=O)NC(C)(C)C)S(C)(=O)=O)c1
InChIInChI=1S/C15H22N2O4S/c1-11(18)12-7-6-8-13(9-12)17(22(5,20)21)10-14(19)16-15(2,3)4/h6-9H,10H2,1-5H3,(H,16,19)
InChIKeyAWFFQQIPMUQBKG-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.57
Rot. Bonds5

About 2-(3-acetyl-N-methylsulfonylanilino)-N-tert-butylacetamide

2-(3-acetyl-N-methylsulfonylanilino)-N-tert-butylacetamide (PubChem CID 3538765) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-(3-acetyl-N-methylsulfonylanilino)-N-tert-butylacetamide.

Molecular Properties

Compound Name2-(3-acetyl-N-methylsulfonylanilino)-N-tert-butylacetamide
PubChem CID3538765
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name2-(3-acetyl-N-methylsulfonylanilino)-N-tert-butylacetamide
SMILESCC(=O)c1cccc(N(CC(=O)NC(C)(C)C)S(C)(=O)=O)c1
InChIInChI=1S/C15H22N2O4S/c1-11(18)12-7-6-8-13(9-12)17(22(5,20)21)10-14(19)16-15(2,3)4/h6-9H,10H2,1-5H3,(H,16,19)
InChIKeyAWFFQQIPMUQBKG-UHFFFAOYSA-N
XLogP1.57
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-(N-methylsulfonylanilino)acetamide
CID 51343017
2-(3-acetyl-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide
CID 3917136
2-(3-acetyl-N-methylsulfonylanilino)-N-benzylacetamide
CID 5152281
2-(3-acetyl-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113155569
2-(3-acetyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide
CID 3324324
2-(3-acetyl-N-methylsulfonylanilino)-N-(2-bromophenyl)acetamide
CID 2962960
2-(3-acetyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 2971946
2-(3-acetyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 113155566
2-[[2-(3-acetyl-N-methylsulfonylanilino)acetyl]-benzylamino]-N-tert-butylpropanamide
CID 132984596
2-(3-acetyl-N-methylsulfonylanilino)-N-(2,5-dichlorophenyl)acetamide
CID 5201560
2-(3-acetyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 2975957
methyl 3-[[2-(3-acetyl-N-methylsulfonylanilino)acetyl]amino]-4-methylbenzoate
CID 2231397

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-N-methylsulfonylanilino)-N-tert-butylacetamide?
The IUPAC name of 2-(3-acetyl-N-methylsulfonylanilino)-N-tert-butylacetamide (CID 3538765) is 2-(3-acetyl-N-methylsulfonylanilino)-N-tert-butylacetamide.
What is the SMILES notation for 2-(3-acetyl-N-methylsulfonylanilino)-N-tert-butylacetamide?
The canonical SMILES for 2-(3-acetyl-N-methylsulfonylanilino)-N-tert-butylacetamide is CC(=O)c1cccc(N(CC(=O)NC(C)(C)C)S(C)(=O)=O)c1.
What is the InChIKey of 2-(3-acetyl-N-methylsulfonylanilino)-N-tert-butylacetamide?
The InChIKey is AWFFQQIPMUQBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-11(18)12-7-6-8-13(9-12)17(22(5,20)21)10-14(19)16-15(2,3)4/h6-9H,10H2,1-5H3,(H,16,19).
What are the key properties of 2-(3-acetyl-N-methylsulfonylanilino)-N-tert-butylacetamide?
2-(3-acetyl-N-methylsulfonylanilino)-N-tert-butylacetamide has a molecular weight of 326.42 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetyl-N-methylsulfonylanilino)-N-tert-butylacetamide is sourced from PubChem (CID 3538765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).