N-(2-methoxyphenyl)-2-[(2-methyl-2-methylsulfonylpropyl)amino]acetamide

C14H22N2O4S — CID 79562333

IUPACN-(2-methoxyphenyl)-2-[(2-methyl-2-methylsulfonylpropyl)amino]acetamide
SMILESCOc1ccccc1NC(=O)CNCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C14H22N2O4S/c1-14(2,21(4,18)19)10-15-9-13(17)16-11-7-5-6-8-12(11)20-3/h5-8,15H,9-10H2,1-4H3,(H,16,17)
InChIKeyCGKPODDRIIFJCZ-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.05
Rot. Bonds7

About N-(2-methoxyphenyl)-2-[(2-methyl-2-methylsulfonylpropyl)amino]acetamide

N-(2-methoxyphenyl)-2-[(2-methyl-2-methylsulfonylpropyl)amino]acetamide (PubChem CID 79562333) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[(2-methyl-2-methylsulfonylpropyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[(2-methyl-2-methylsulfonylpropyl)amino]acetamide
PubChem CID79562333
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN-(2-methoxyphenyl)-2-[(2-methyl-2-methylsulfonylpropyl)amino]acetamide
SMILESCOc1ccccc1NC(=O)CNCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C14H22N2O4S/c1-14(2,21(4,18)19)10-15-9-13(17)16-11-7-5-6-8-12(11)20-3/h5-8,15H,9-10H2,1-4H3,(H,16,17)
InChIKeyCGKPODDRIIFJCZ-UHFFFAOYSA-N
XLogP1.05
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 28595958
N-(2-methoxyphenyl)-2-(2-methylpropylamino)acetamide
CID 9322485
2-[tert-butyl(methylsulfonyl)amino]-N-(2-methoxyphenyl)acetamide
CID 113152955
2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2346844
4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoic acid
CID 2329032
4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]butanamide
CID 60864309
2-[(4-hydroxyphenyl)methylamino]-N-(2-methoxyphenyl)acetamide
CID 114331761
2-(hex-5-ynylamino)-N-(2-methoxyphenyl)acetamide
CID 106211964
N-(2-methoxyphenyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]acetamide
CID 106429534
N-(2-methoxyphenyl)-2-(2-phenoxyanilino)acetamide
CID 7922855
2-(2-methoxyanilino)-N-(4-methylsulfonylphenyl)acetamide
CID 42026319
2-[2-(2-hydroxyethoxy)ethylamino]-N-(2-methoxyphenyl)acetamide
CID 55024321

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[(2-methyl-2-methylsulfonylpropyl)amino]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[(2-methyl-2-methylsulfonylpropyl)amino]acetamide (CID 79562333) is N-(2-methoxyphenyl)-2-[(2-methyl-2-methylsulfonylpropyl)amino]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[(2-methyl-2-methylsulfonylpropyl)amino]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[(2-methyl-2-methylsulfonylpropyl)amino]acetamide is COc1ccccc1NC(=O)CNCC(C)(C)S(C)(=O)=O.
What is the InChIKey of N-(2-methoxyphenyl)-2-[(2-methyl-2-methylsulfonylpropyl)amino]acetamide?
The InChIKey is CGKPODDRIIFJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-14(2,21(4,18)19)10-15-9-13(17)16-11-7-5-6-8-12(11)20-3/h5-8,15H,9-10H2,1-4H3,(H,16,17).
What are the key properties of N-(2-methoxyphenyl)-2-[(2-methyl-2-methylsulfonylpropyl)amino]acetamide?
N-(2-methoxyphenyl)-2-[(2-methyl-2-methylsulfonylpropyl)amino]acetamide has a molecular weight of 314.41 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[(2-methyl-2-methylsulfonylpropyl)amino]acetamide is sourced from PubChem (CID 79562333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).