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

C14H22N2O4S — CID 113152955

IUPAC2-[tert-butyl(methylsulfonyl)amino]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN(C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C14H22N2O4S/c1-14(2,3)16(21(5,18)19)10-13(17)15-11-8-6-7-9-12(11)20-4/h6-9H,10H2,1-5H3,(H,15,17)
InChIKeyZWEDGNFECGLAJG-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.69
Rot. Bonds5

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

2-[tert-butyl(methylsulfonyl)amino]-N-(2-methoxyphenyl)acetamide (PubChem CID 113152955) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-[tert-butyl(methylsulfonyl)amino]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[tert-butyl(methylsulfonyl)amino]-N-(2-methoxyphenyl)acetamide
PubChem CID113152955
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name2-[tert-butyl(methylsulfonyl)amino]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN(C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C14H22N2O4S/c1-14(2,3)16(21(5,18)19)10-13(17)15-11-8-6-7-9-12(11)20-4/h6-9H,10H2,1-5H3,(H,15,17)
InChIKeyZWEDGNFECGLAJG-UHFFFAOYSA-N
XLogP1.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[tert-butyl(methylsulfonyl)amino]-N-(2,4-dimethoxyphenyl)acetamide
CID 113152964
2-[tert-butyl(methylsulfonyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 113152861
2-[tert-butyl(methylsulfonyl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 113153011
2-[2-methoxyethyl(methylsulfonyl)amino]-N-(2-methoxyphenyl)acetamide
CID 113149350
2-[cycloheptyl(methylsulfonyl)amino]-N-(2-methoxyphenyl)acetamide
CID 113153135
N-(2-methoxyphenyl)-2-[(2-methyl-2-methylsulfonylpropyl)amino]acetamide
CID 79562333
N-(2-methoxyphenyl)-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 113154354
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-methoxyphenyl)acetamide
CID 30261797
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-methoxyphenyl)acetamide
CID 126035617
2-[bis(2-hydroxyethyl)amino]-N-(2-methoxyphenyl)acetamide
CID 18870897
2-(N-ethylanilino)-N-(2-methoxyphenyl)acetamide
CID 17052689
4-(2-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
CID 53288329

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(methylsulfonyl)amino]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[tert-butyl(methylsulfonyl)amino]-N-(2-methoxyphenyl)acetamide (CID 113152955) is 2-[tert-butyl(methylsulfonyl)amino]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[tert-butyl(methylsulfonyl)amino]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[tert-butyl(methylsulfonyl)amino]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CN(C(C)(C)C)S(C)(=O)=O.
What is the InChIKey of 2-[tert-butyl(methylsulfonyl)amino]-N-(2-methoxyphenyl)acetamide?
The InChIKey is ZWEDGNFECGLAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-14(2,3)16(21(5,18)19)10-13(17)15-11-8-6-7-9-12(11)20-4/h6-9H,10H2,1-5H3,(H,15,17).
What are the key properties of 2-[tert-butyl(methylsulfonyl)amino]-N-(2-methoxyphenyl)acetamide?
2-[tert-butyl(methylsulfonyl)amino]-N-(2-methoxyphenyl)acetamide has a molecular weight of 314.41 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(methylsulfonyl)amino]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 113152955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).