N-(4-acetamidophenyl)-2-[2-(4-methoxyanilino)-2-oxoethyl]sulfinylacetamide

C19H21N3O5S — CID 1140714

IUPACN-(4-acetamidophenyl)-2-[2-(4-methoxyanilino)-2-oxoethyl]sulfinylacetamide
SMILESCOc1ccc(NC(=O)CS(=O)CC(=O)Nc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C19H21N3O5S/c1-13(23)20-14-3-5-15(6-4-14)21-18(24)11-28(26)12-19(25)22-16-7-9-17(27-2)10-8-16/h3-10H,11-12H2,1-2H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyWIYANVKCZXAPJS-UHFFFAOYSA-N
MW403.46 g/mol
LogP1.98
Rot. Bonds8

About N-(4-acetamidophenyl)-2-[2-(4-methoxyanilino)-2-oxoethyl]sulfinylacetamide

N-(4-acetamidophenyl)-2-[2-(4-methoxyanilino)-2-oxoethyl]sulfinylacetamide (PubChem CID 1140714) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[2-(4-methoxyanilino)-2-oxoethyl]sulfinylacetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[2-(4-methoxyanilino)-2-oxoethyl]sulfinylacetamide
PubChem CID1140714
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC NameN-(4-acetamidophenyl)-2-[2-(4-methoxyanilino)-2-oxoethyl]sulfinylacetamide
SMILESCOc1ccc(NC(=O)CS(=O)CC(=O)Nc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C19H21N3O5S/c1-13(23)20-14-3-5-15(6-4-14)21-18(24)11-28(26)12-19(25)22-16-7-9-17(27-2)10-8-16/h3-10H,11-12H2,1-2H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyWIYANVKCZXAPJS-UHFFFAOYSA-N
XLogP1.98
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[2-(4-methoxyanilino)-2-oxoethyl]sulfinylacetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[2-(4-methoxyanilino)-2-oxoethyl]sulfinylacetamide (CID 1140714) is N-(4-acetamidophenyl)-2-[2-(4-methoxyanilino)-2-oxoethyl]sulfinylacetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[2-(4-methoxyanilino)-2-oxoethyl]sulfinylacetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[2-(4-methoxyanilino)-2-oxoethyl]sulfinylacetamide is COc1ccc(NC(=O)CS(=O)CC(=O)Nc2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[2-(4-methoxyanilino)-2-oxoethyl]sulfinylacetamide?
The InChIKey is WIYANVKCZXAPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S/c1-13(23)20-14-3-5-15(6-4-14)21-18(24)11-28(26)12-19(25)22-16-7-9-17(27-2)10-8-16/h3-10H,11-12H2,1-2H3,(H,20,23)(H,21,24)(H,22,25).
What are the key properties of N-(4-acetamidophenyl)-2-[2-(4-methoxyanilino)-2-oxoethyl]sulfinylacetamide?
N-(4-acetamidophenyl)-2-[2-(4-methoxyanilino)-2-oxoethyl]sulfinylacetamide has a molecular weight of 403.46 g/mol, XLogP of 1.98, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[2-(4-methoxyanilino)-2-oxoethyl]sulfinylacetamide is sourced from PubChem (CID 1140714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).