2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide

C18H22N2O4S — CID 2993335

IUPAC2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide
SMILESCCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2)cc1C
InChIInChI=1S/C18H22N2O4S/c1-4-24-17-11-10-16(12-14(17)2)25(22,23)20(3)13-18(21)19-15-8-6-5-7-9-15/h5-12H,4,13H2,1-3H3,(H,19,21)
InChIKeyGPXMOHDLLTVOSV-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.65
Rot. Bonds7

About 2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide

2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide (PubChem CID 2993335) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide
PubChem CID2993335
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide
SMILESCCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2)cc1C
InChIInChI=1S/C18H22N2O4S/c1-4-24-17-11-10-16(12-14(17)2)25(22,23)20(3)13-18(21)19-15-8-6-5-7-9-15/h5-12H,4,13H2,1-3H3,(H,19,21)
InChIKeyGPXMOHDLLTVOSV-UHFFFAOYSA-N
XLogP2.65
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 45373757
2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 41446708
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 1248167
2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide
CID 2178261
N-(4-bromophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 5128990
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-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 41446698
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(3-cyanophenyl)acetamide
CID 100797392
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 2709729
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 6289402
N-[(E)-(2-ethoxyphenyl)methylideneamino]-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 92963296

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide?
The IUPAC name of 2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide (CID 2993335) is 2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide.
What is the SMILES notation for 2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide?
The canonical SMILES for 2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide is CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2)cc1C.
What is the InChIKey of 2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide?
The InChIKey is GPXMOHDLLTVOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-4-24-17-11-10-16(12-14(17)2)25(22,23)20(3)13-18(21)19-15-8-6-5-7-9-15/h5-12H,4,13H2,1-3H3,(H,19,21).
What are the key properties of 2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide?
2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide has a molecular weight of 362.45 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide is sourced from PubChem (CID 2993335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).