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

C18H20N2O5S — CID 1317599

IUPACN-(3-acetylphenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C18H20N2O5S/c1-13(21)14-5-4-6-15(11-14)19-18(22)12-20(2)26(23,24)17-9-7-16(25-3)8-10-17/h4-11H,12H2,1-3H3,(H,19,22)
InChIKeyIODOGULBOTVHOM-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.16
Rot. Bonds7

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

N-(3-acetylphenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide (PubChem CID 1317599) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
PubChem CID1317599
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC NameN-(3-acetylphenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C18H20N2O5S/c1-13(21)14-5-4-6-15(11-14)19-18(22)12-20(2)26(23,24)17-9-7-16(25-3)8-10-17/h4-11H,12H2,1-3H3,(H,19,22)
InChIKeyIODOGULBOTVHOM-UHFFFAOYSA-N
XLogP2.16
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Act-462206
CID 40924317
2-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)acetamide
CID 822776
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CID 9869819
N-(2-methoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2083341
4-fluoro-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide
CID 24993214
4-cyano-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide
CID 24993216
N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]acetamide
CID 24993852
N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide
CID 24993853
N-[1-(4-methoxy-benzenesulfonyl)-2,3-dihydro-1H-indol-7-yl]-benzamide
CID 25168005
Methyl 4-(azepan-1-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 4378076
4-{[(1E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]amino}benzenesulfonamide
CID 2248175
N-(2-methoxy-5-{[(tetrahydro-2-furanylmethyl)amino]sulfonyl}phenyl)benzamide
CID 2987883

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide (CID 1317599) is N-(3-acetylphenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide is COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(C(C)=O)c2)cc1.
What is the InChIKey of N-(3-acetylphenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide?
The InChIKey is IODOGULBOTVHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-13(21)14-5-4-6-15(11-14)19-18(22)12-20(2)26(23,24)17-9-7-16(25-3)8-10-17/h4-11H,12H2,1-3H3,(H,19,22).
What are the key properties of N-(3-acetylphenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide?
N-(3-acetylphenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide has a molecular weight of 376.43 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 1317599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).