2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(3-methoxyphenyl)acetamide

C18H22N2O5S — CID 1248167

IUPAC2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(C)c2)c1
InChIInChI=1S/C18H22N2O5S/c1-13-10-16(8-9-17(13)25-4)26(22,23)20(2)12-18(21)19-14-6-5-7-15(11-14)24-3/h5-11H,12H2,1-4H3,(H,19,21)
InChIKeyZZGMWNXSCLIKKF-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.27
Rot. Bonds7

About 2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(3-methoxyphenyl)acetamide

2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(3-methoxyphenyl)acetamide (PubChem CID 1248167) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(3-methoxyphenyl)acetamide
PubChem CID1248167
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Name2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(C)c2)c1
InChIInChI=1S/C18H22N2O5S/c1-13-10-16(8-9-17(13)25-4)26(22,23)20(2)12-18(21)19-14-6-5-7-15(11-14)24-3/h5-11H,12H2,1-4H3,(H,19,21)
InChIKeyZZGMWNXSCLIKKF-UHFFFAOYSA-N
XLogP2.27
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 3600540
N-(3,4-dimethylphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 4548442
2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 5136984
N-(4-bromophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 5128990
2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]-N-(3-methoxyphenyl)acetamide
CID 7510070
2-[[4-(difluoromethylsulfonyl)phenyl]sulfonyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 34055693
N-(3-methoxyphenyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464513
N-(3-methoxyphenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide
CID 30168410
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide
CID 136818234
2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 2993335
N-(9-ethylcarbazol-3-yl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 45372888
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetate
CID 6957292

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(3-methoxyphenyl)acetamide (CID 1248167) is 2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(C)c2)c1.
What is the InChIKey of 2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(3-methoxyphenyl)acetamide?
The InChIKey is ZZGMWNXSCLIKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-13-10-16(8-9-17(13)25-4)26(22,23)20(2)12-18(21)19-14-6-5-7-15(11-14)24-3/h5-11H,12H2,1-4H3,(H,19,21).
What are the key properties of 2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(3-methoxyphenyl)acetamide?
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(3-methoxyphenyl)acetamide has a molecular weight of 378.45 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 1248167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).