2-(N-(4-acetamidophenyl)sulfonyl-4-propoxyanilino)acetamide

C19H23N3O5S — CID 50889711

IUPAC2-(N-(4-acetamidophenyl)sulfonyl-4-propoxyanilino)acetamide
SMILESCCCOc1ccc(N(CC(N)=O)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C19H23N3O5S/c1-3-12-27-17-8-6-16(7-9-17)22(13-19(20)24)28(25,26)18-10-4-15(5-11-18)21-14(2)23/h4-11H,3,12-13H2,1-2H3,(H2,20,24)(H,21,23)
InChIKeyZSLRKRUXDVVITM-UHFFFAOYSA-N
MW405.48 g/mol
LogP2.11
Rot. Bonds9

About 2-(N-(4-acetamidophenyl)sulfonyl-4-propoxyanilino)acetamide

2-(N-(4-acetamidophenyl)sulfonyl-4-propoxyanilino)acetamide (PubChem CID 50889711) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is 2-(N-(4-acetamidophenyl)sulfonyl-4-propoxyanilino)acetamide.

Molecular Properties

Compound Name2-(N-(4-acetamidophenyl)sulfonyl-4-propoxyanilino)acetamide
PubChem CID50889711
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC Name2-(N-(4-acetamidophenyl)sulfonyl-4-propoxyanilino)acetamide
SMILESCCCOc1ccc(N(CC(N)=O)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C19H23N3O5S/c1-3-12-27-17-8-6-16(7-9-17)22(13-19(20)24)28(25,26)18-10-4-15(5-11-18)21-14(2)23/h4-11H,3,12-13H2,1-2H3,(H2,20,24)(H,21,23)
InChIKeyZSLRKRUXDVVITM-UHFFFAOYSA-N
XLogP2.11
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(N-(4-acetamidophenyl)sulfonyl-4-propoxyanilino)acetate
CID 50889690
2-(N-(4-acetamidophenyl)sulfonyl-4-ethylanilino)acetamide
CID 50889396
2-(N-(4-acetamidophenyl)sulfonyl-4-fluoroanilino)acetamide
CID 50889099
N-(4-acetamidophenyl)-2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1302894
2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide
CID 50893049
methyl 2-(N-(4-fluorophenyl)sulfonyl-4-propoxyanilino)acetate
CID 50894823
2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 798122
methyl 2-[N-(benzenesulfonyl)-4-propoxyanilino]acetate
CID 50894913
2-(4-ethoxy-N-ethylsulfonylanilino)acetamide
CID 50893065
4-[[2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetyl]amino]benzamide
CID 51344975
2-[N-(4-acetamidophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 50889320
N-[4-[(4-bromophenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide
CID 50889129

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-acetamidophenyl)sulfonyl-4-propoxyanilino)acetamide?
The IUPAC name of 2-(N-(4-acetamidophenyl)sulfonyl-4-propoxyanilino)acetamide (CID 50889711) is 2-(N-(4-acetamidophenyl)sulfonyl-4-propoxyanilino)acetamide.
What is the SMILES notation for 2-(N-(4-acetamidophenyl)sulfonyl-4-propoxyanilino)acetamide?
The canonical SMILES for 2-(N-(4-acetamidophenyl)sulfonyl-4-propoxyanilino)acetamide is CCCOc1ccc(N(CC(N)=O)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of 2-(N-(4-acetamidophenyl)sulfonyl-4-propoxyanilino)acetamide?
The InChIKey is ZSLRKRUXDVVITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-3-12-27-17-8-6-16(7-9-17)22(13-19(20)24)28(25,26)18-10-4-15(5-11-18)21-14(2)23/h4-11H,3,12-13H2,1-2H3,(H2,20,24)(H,21,23).
What are the key properties of 2-(N-(4-acetamidophenyl)sulfonyl-4-propoxyanilino)acetamide?
2-(N-(4-acetamidophenyl)sulfonyl-4-propoxyanilino)acetamide has a molecular weight of 405.48 g/mol, XLogP of 2.11, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-acetamidophenyl)sulfonyl-4-propoxyanilino)acetamide is sourced from PubChem (CID 50889711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).