2-[tert-butyl(methylsulfonyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide

C13H18ClFN2O3S — CID 113152949

IUPAC2-[tert-butyl(methylsulfonyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide
SMILESCC(C)(C)N(CC(=O)Nc1ccc(F)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C13H18ClFN2O3S/c1-13(2,3)17(21(4,19)20)8-12(18)16-9-5-6-11(15)10(14)7-9/h5-7H,8H2,1-4H3,(H,16,18)
InChIKeyIOGWJDPJOUGZCJ-UHFFFAOYSA-N
MW336.82 g/mol
LogP2.48
Rot. Bonds4

About 2-[tert-butyl(methylsulfonyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide

2-[tert-butyl(methylsulfonyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide (PubChem CID 113152949) has the molecular formula C13H18ClFN2O3S and a molecular weight of 336.82 g/mol. Its IUPAC name is 2-[tert-butyl(methylsulfonyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[tert-butyl(methylsulfonyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide
PubChem CID113152949
Molecular FormulaC13H18ClFN2O3S
Molecular Weight336.82 g/mol
Exact Mass336.07
IUPAC Name2-[tert-butyl(methylsulfonyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide
SMILESCC(C)(C)N(CC(=O)Nc1ccc(F)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C13H18ClFN2O3S/c1-13(2,3)17(21(4,19)20)8-12(18)16-9-5-6-11(15)10(14)7-9/h5-7H,8H2,1-4H3,(H,16,18)
InChIKeyIOGWJDPJOUGZCJ-UHFFFAOYSA-N
XLogP2.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 52.48
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
2-[tert-butyl(methylsulfonyl)amino]-N-(3,5-dichlorophenyl)acetamide
CID 113153008
N-(3-chloro-4-fluorophenyl)-2-(2,6-difluoro-N-methylsulfonylanilino)acetamide
CID 113157653
N-(3-chloro-4-fluorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide
CID 1290563
N-(3-chloro-4-fluorophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide
CID 45374381
N-(3-chloro-4-fluorophenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
CID 113149526
2-[tert-butyl(methylsulfonyl)amino]-N-(4-ethylphenyl)acetamide
CID 113152930
N-(3-chloro-4-fluorophenyl)-2-(N-methyl-4-methylsulfonylanilino)acetamide
CID 47075268
N-(3-chloro-4-fluorophenyl)-3-[methylsulfonyl(propan-2-yl)amino]propanamide
CID 113136167
N-(3-chloro-4-fluorophenyl)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide
CID 2175101
N-(3-chloro-4-fluorophenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 113143620
N-(3-chloro-4-fluorophenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30267320

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(methylsulfonyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide?
The IUPAC name of 2-[tert-butyl(methylsulfonyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide (CID 113152949) is 2-[tert-butyl(methylsulfonyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[tert-butyl(methylsulfonyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide?
The canonical SMILES for 2-[tert-butyl(methylsulfonyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide is CC(C)(C)N(CC(=O)Nc1ccc(F)c(Cl)c1)S(C)(=O)=O.
What is the InChIKey of 2-[tert-butyl(methylsulfonyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide?
The InChIKey is IOGWJDPJOUGZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O3S/c1-13(2,3)17(21(4,19)20)8-12(18)16-9-5-6-11(15)10(14)7-9/h5-7H,8H2,1-4H3,(H,16,18).
What are the key properties of 2-[tert-butyl(methylsulfonyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide?
2-[tert-butyl(methylsulfonyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide has a molecular weight of 336.82 g/mol, XLogP of 2.48, 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-chloro-4-fluorophenyl)acetamide is sourced from PubChem (CID 113152949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).