N-(5-acetamido-2-methoxyphenyl)-2-(4-ethylsulfonylanilino)acetamide

C19H23N3O5S — CID 16609082

IUPACN-(5-acetamido-2-methoxyphenyl)-2-(4-ethylsulfonylanilino)acetamide
SMILESCCS(=O)(=O)c1ccc(NCC(=O)Nc2cc(NC(C)=O)ccc2OC)cc1
InChIInChI=1S/C19H23N3O5S/c1-4-28(25,26)16-8-5-14(6-9-16)20-12-19(24)22-17-11-15(21-13(2)23)7-10-18(17)27-3/h5-11,20H,4,12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyKBKNBWHLAWMCRW-UHFFFAOYSA-N
MW405.48 g/mol
LogP2.50
Rot. Bonds8

About N-(5-acetamido-2-methoxyphenyl)-2-(4-ethylsulfonylanilino)acetamide

N-(5-acetamido-2-methoxyphenyl)-2-(4-ethylsulfonylanilino)acetamide (PubChem CID 16609082) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-2-(4-ethylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-2-(4-ethylsulfonylanilino)acetamide
PubChem CID16609082
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-2-(4-ethylsulfonylanilino)acetamide
SMILESCCS(=O)(=O)c1ccc(NCC(=O)Nc2cc(NC(C)=O)ccc2OC)cc1
InChIInChI=1S/C19H23N3O5S/c1-4-28(25,26)16-8-5-14(6-9-16)20-12-19(24)22-17-11-15(21-13(2)23)7-10-18(17)27-3/h5-11,20H,4,12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyKBKNBWHLAWMCRW-UHFFFAOYSA-N
XLogP2.50
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 24614766
N-(5-acetamido-2-methoxyphenyl)-2-(3-methylanilino)acetamide
CID 51224557
2-(5-acetamido-2-fluoroanilino)-N-(5-acetamido-2-methoxyphenyl)acetamide
CID 37279177
N-(5-acetamido-2-methoxyphenyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
CID 24614942
2-[4-(diethylsulfamoyl)anilino]-N-(2,5-dimethoxyphenyl)acetamide
CID 9084037
N-(3-acetamido-4-methoxyphenyl)-2-(4-chlorophenyl)sulfonylacetamide
CID 35348603
N-(5-acetamido-2-methoxyphenyl)-2-(4-methylphenyl)acetamide
CID 17432370
N-(5-acetamido-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119680223
N-(5-acetamido-2-methoxyphenyl)-3-chloropropanamide
CID 43236542
2-(3-acetamido-4-fluoroanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 31766831
N-(2,5-dimethoxyphenyl)-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide
CID 9083617
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] propanoate
CID 9015180

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-(4-ethylsulfonylanilino)acetamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-(4-ethylsulfonylanilino)acetamide (CID 16609082) is N-(5-acetamido-2-methoxyphenyl)-2-(4-ethylsulfonylanilino)acetamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-2-(4-ethylsulfonylanilino)acetamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-2-(4-ethylsulfonylanilino)acetamide is CCS(=O)(=O)c1ccc(NCC(=O)Nc2cc(NC(C)=O)ccc2OC)cc1.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-2-(4-ethylsulfonylanilino)acetamide?
The InChIKey is KBKNBWHLAWMCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-4-28(25,26)16-8-5-14(6-9-16)20-12-19(24)22-17-11-15(21-13(2)23)7-10-18(17)27-3/h5-11,20H,4,12H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-2-(4-ethylsulfonylanilino)acetamide?
N-(5-acetamido-2-methoxyphenyl)-2-(4-ethylsulfonylanilino)acetamide has a molecular weight of 405.48 g/mol, XLogP of 2.50, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-2-(4-ethylsulfonylanilino)acetamide is sourced from PubChem (CID 16609082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).