2-[tert-butyl(methylsulfonyl)amino]-N-(3-chlorophenyl)acetamide

C13H19ClN2O3S — CID 113152943

IUPAC2-[tert-butyl(methylsulfonyl)amino]-N-(3-chlorophenyl)acetamide
SMILESCC(C)(C)N(CC(=O)Nc1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C13H19ClN2O3S/c1-13(2,3)16(20(4,18)19)9-12(17)15-11-7-5-6-10(14)8-11/h5-8H,9H2,1-4H3,(H,15,17)
InChIKeyCEPJZDIINSMFAX-UHFFFAOYSA-N
MW318.83 g/mol
LogP2.34
Rot. Bonds4

About 2-[tert-butyl(methylsulfonyl)amino]-N-(3-chlorophenyl)acetamide

2-[tert-butyl(methylsulfonyl)amino]-N-(3-chlorophenyl)acetamide (PubChem CID 113152943) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 2-[tert-butyl(methylsulfonyl)amino]-N-(3-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[tert-butyl(methylsulfonyl)amino]-N-(3-chlorophenyl)acetamide
PubChem CID113152943
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name2-[tert-butyl(methylsulfonyl)amino]-N-(3-chlorophenyl)acetamide
SMILESCC(C)(C)N(CC(=O)Nc1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C13H19ClN2O3S/c1-13(2,3)16(20(4,18)19)9-12(17)15-11-7-5-6-10(14)8-11/h5-8H,9H2,1-4H3,(H,15,17)
InChIKeyCEPJZDIINSMFAX-UHFFFAOYSA-N
XLogP2.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-(3-chloro-N-methylsulfonylanilino)-N-(3-chlorophenyl)acetamide
CID 1082246
N-(3-chlorophenyl)-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 113154183
2-[tert-butyl(methylsulfonyl)amino]-N-(4-ethylphenyl)acetamide
CID 113152930
N-(3-chlorophenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide
CID 113157541
N-(3-chlorophenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 78962723
3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide
CID 119294381
2-(3-chloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 1318710
N-(3-chlorophenyl)-2-[3-(methanesulfonamido)propyl-methylamino]acetamide
CID 47524076
N-(3-chlorophenyl)-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetamide
CID 9412118
N-(3-chlorophenyl)-2-(2-cyano-N-methylsulfonylanilino)acetamide
CID 113157216

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(methylsulfonyl)amino]-N-(3-chlorophenyl)acetamide?
The IUPAC name of 2-[tert-butyl(methylsulfonyl)amino]-N-(3-chlorophenyl)acetamide (CID 113152943) is 2-[tert-butyl(methylsulfonyl)amino]-N-(3-chlorophenyl)acetamide.
What is the SMILES notation for 2-[tert-butyl(methylsulfonyl)amino]-N-(3-chlorophenyl)acetamide?
The canonical SMILES for 2-[tert-butyl(methylsulfonyl)amino]-N-(3-chlorophenyl)acetamide is CC(C)(C)N(CC(=O)Nc1cccc(Cl)c1)S(C)(=O)=O.
What is the InChIKey of 2-[tert-butyl(methylsulfonyl)amino]-N-(3-chlorophenyl)acetamide?
The InChIKey is CEPJZDIINSMFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-13(2,3)16(20(4,18)19)9-12(17)15-11-7-5-6-10(14)8-11/h5-8H,9H2,1-4H3,(H,15,17).
What are the key properties of 2-[tert-butyl(methylsulfonyl)amino]-N-(3-chlorophenyl)acetamide?
2-[tert-butyl(methylsulfonyl)amino]-N-(3-chlorophenyl)acetamide has a molecular weight of 318.83 g/mol, XLogP of 2.34, 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-chlorophenyl)acetamide is sourced from PubChem (CID 113152943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).