2-[tert-butyl(methylsulfonyl)amino]-N-(3,5-dichlorophenyl)acetamide

C13H18Cl2N2O3S — CID 113153008

IUPAC2-[tert-butyl(methylsulfonyl)amino]-N-(3,5-dichlorophenyl)acetamide
SMILESCC(C)(C)N(CC(=O)Nc1cc(Cl)cc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C13H18Cl2N2O3S/c1-13(2,3)17(21(4,19)20)8-12(18)16-11-6-9(14)5-10(15)7-11/h5-7H,8H2,1-4H3,(H,16,18)
InChIKeyOQHDCPHPEYYYJA-UHFFFAOYSA-N
MW353.27 g/mol
LogP2.99
Rot. Bonds4

About 2-[tert-butyl(methylsulfonyl)amino]-N-(3,5-dichlorophenyl)acetamide

2-[tert-butyl(methylsulfonyl)amino]-N-(3,5-dichlorophenyl)acetamide (PubChem CID 113153008) has the molecular formula C13H18Cl2N2O3S and a molecular weight of 353.27 g/mol. Its IUPAC name is 2-[tert-butyl(methylsulfonyl)amino]-N-(3,5-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[tert-butyl(methylsulfonyl)amino]-N-(3,5-dichlorophenyl)acetamide
PubChem CID113153008
Molecular FormulaC13H18Cl2N2O3S
Molecular Weight353.27 g/mol
Exact Mass352.04
IUPAC Name2-[tert-butyl(methylsulfonyl)amino]-N-(3,5-dichlorophenyl)acetamide
SMILESCC(C)(C)N(CC(=O)Nc1cc(Cl)cc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C13H18Cl2N2O3S/c1-13(2,3)17(21(4,19)20)8-12(18)16-11-6-9(14)5-10(15)7-11/h5-7H,8H2,1-4H3,(H,16,18)
InChIKeyOQHDCPHPEYYYJA-UHFFFAOYSA-N
XLogP2.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.27
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[tert-butyl(methylsulfonyl)amino]-N-(3-chlorophenyl)acetamide
CID 113152943
N-(3,5-dichlorophenyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464486
2-[tert-butyl(methylsulfonyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide
CID 113152949
2-[tert-butyl(methylsulfonyl)amino]-N-(4-ethylphenyl)acetamide
CID 113152930
N-(3,5-dichlorophenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30261658
2-[tert-butyl(methylsulfonyl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 113153011
2-(2-chloro-N-methylsulfonylanilino)-N-(3,5-dichlorophenyl)acetamide
CID 51343181
N-(3,5-dichlorophenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)acetamide
CID 9173126
N-tert-butyl-2-[tert-butyl(methylsulfonyl)amino]acetamide
CID 89118215
N-(3,5-dichlorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
CID 113157887
N-(3,5-dichlorophenyl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
CID 113138221
2-[tert-butyl(methylsulfonyl)amino]-N-(2,4-dimethoxyphenyl)acetamide
CID 113152964

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(methylsulfonyl)amino]-N-(3,5-dichlorophenyl)acetamide?
The IUPAC name of 2-[tert-butyl(methylsulfonyl)amino]-N-(3,5-dichlorophenyl)acetamide (CID 113153008) is 2-[tert-butyl(methylsulfonyl)amino]-N-(3,5-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[tert-butyl(methylsulfonyl)amino]-N-(3,5-dichlorophenyl)acetamide?
The canonical SMILES for 2-[tert-butyl(methylsulfonyl)amino]-N-(3,5-dichlorophenyl)acetamide is CC(C)(C)N(CC(=O)Nc1cc(Cl)cc(Cl)c1)S(C)(=O)=O.
What is the InChIKey of 2-[tert-butyl(methylsulfonyl)amino]-N-(3,5-dichlorophenyl)acetamide?
The InChIKey is OQHDCPHPEYYYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O3S/c1-13(2,3)17(21(4,19)20)8-12(18)16-11-6-9(14)5-10(15)7-11/h5-7H,8H2,1-4H3,(H,16,18).
What are the key properties of 2-[tert-butyl(methylsulfonyl)amino]-N-(3,5-dichlorophenyl)acetamide?
2-[tert-butyl(methylsulfonyl)amino]-N-(3,5-dichlorophenyl)acetamide has a molecular weight of 353.27 g/mol, XLogP of 2.99, 4 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-(3,5-dichlorophenyl)acetamide is sourced from PubChem (CID 113153008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).