N-(3-methoxyphenyl)-2-[methyl(methylsulfonyl)amino]acetamide

C11H16N2O4S — CID 30464513

IUPACN-(3-methoxyphenyl)-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCOc1cccc(NC(=O)CN(C)S(C)(=O)=O)c1
InChIInChI=1S/C11H16N2O4S/c1-13(18(3,15)16)8-11(14)12-9-5-4-6-10(7-9)17-2/h4-7H,8H2,1-3H3,(H,12,14)
InChIKeyYJEYTUJEVLRUGS-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.53
Rot. Bonds5

About N-(3-methoxyphenyl)-2-[methyl(methylsulfonyl)amino]acetamide

N-(3-methoxyphenyl)-2-[methyl(methylsulfonyl)amino]acetamide (PubChem CID 30464513) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[methyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[methyl(methylsulfonyl)amino]acetamide
PubChem CID30464513
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC NameN-(3-methoxyphenyl)-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCOc1cccc(NC(=O)CN(C)S(C)(=O)=O)c1
InChIInChI=1S/C11H16N2O4S/c1-13(18(3,15)16)8-11(14)12-9-5-4-6-10(7-9)17-2/h4-7H,8H2,1-3H3,(H,12,14)
InChIKeyYJEYTUJEVLRUGS-UHFFFAOYSA-N
XLogP0.53
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide
CID 47121758
2-[2-methoxyethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide
CID 113149351
methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate
CID 47129052
N-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151319
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 1248167
2-[[4-(difluoromethylsulfonyl)phenyl]sulfonyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 34055693
N-(3-methoxyphenyl)-2-(N-methylanilino)acetamide
CID 8689446
N-(3-methoxyphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 1100140
2-[cyclohexyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide
CID 954156
2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]-N-(3-methoxyphenyl)acetamide
CID 7510070
N-(3-methoxyphenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide
CID 30168410
N-(3-methoxyphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30259702

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[methyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[methyl(methylsulfonyl)amino]acetamide (CID 30464513) is N-(3-methoxyphenyl)-2-[methyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[methyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[methyl(methylsulfonyl)amino]acetamide is COc1cccc(NC(=O)CN(C)S(C)(=O)=O)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[methyl(methylsulfonyl)amino]acetamide?
The InChIKey is YJEYTUJEVLRUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-13(18(3,15)16)8-11(14)12-9-5-4-6-10(7-9)17-2/h4-7H,8H2,1-3H3,(H,12,14).
What are the key properties of N-(3-methoxyphenyl)-2-[methyl(methylsulfonyl)amino]acetamide?
N-(3-methoxyphenyl)-2-[methyl(methylsulfonyl)amino]acetamide has a molecular weight of 272.33 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[methyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 30464513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).