N-(4-methoxyphenyl)-2-[2-oxo-2-(2-phenylanilino)ethyl]sulfinylacetamide

C23H22N2O4S — CID 1462946

IUPACN-(4-methoxyphenyl)-2-[2-oxo-2-(2-phenylanilino)ethyl]sulfinylacetamide
SMILESCOc1ccc(NC(=O)CS(=O)CC(=O)Nc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C23H22N2O4S/c1-29-19-13-11-18(12-14-19)24-22(26)15-30(28)16-23(27)25-21-10-6-5-9-20(21)17-7-3-2-4-8-17/h2-14H,15-16H2,1H3,(H,24,26)(H,25,27)
InChIKeyDRNVPLVGWBHMED-UHFFFAOYSA-N
MW422.51 g/mol
LogP3.69
Rot. Bonds8

About N-(4-methoxyphenyl)-2-[2-oxo-2-(2-phenylanilino)ethyl]sulfinylacetamide

N-(4-methoxyphenyl)-2-[2-oxo-2-(2-phenylanilino)ethyl]sulfinylacetamide (PubChem CID 1462946) has the molecular formula C23H22N2O4S and a molecular weight of 422.51 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[2-oxo-2-(2-phenylanilino)ethyl]sulfinylacetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[2-oxo-2-(2-phenylanilino)ethyl]sulfinylacetamide
PubChem CID1462946
Molecular FormulaC23H22N2O4S
Molecular Weight422.51 g/mol
Exact Mass422.13
IUPAC NameN-(4-methoxyphenyl)-2-[2-oxo-2-(2-phenylanilino)ethyl]sulfinylacetamide
SMILESCOc1ccc(NC(=O)CS(=O)CC(=O)Nc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C23H22N2O4S/c1-29-19-13-11-18(12-14-19)24-22(26)15-30(28)16-23(27)25-21-10-6-5-9-20(21)17-7-3-2-4-8-17/h2-14H,15-16H2,1H3,(H,24,26)(H,25,27)
InChIKeyDRNVPLVGWBHMED-UHFFFAOYSA-N
XLogP3.69
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-methoxyanilino)-2-oxoethyl]sulfinylacetic acid
CID 854402
3-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(2-phenylphenyl)propanamide
CID 24588963
N-(4-methoxyphenyl)-2-[(R)-[2-oxo-2-(quinolin-8-ylamino)ethyl]sulfinyl]acetamide
CID 51552903
2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfinyl-N-(4-methoxyphenyl)acetamide
CID 24792559
N-(4-methoxyphenyl)-2-[(R)-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfinyl]acetamide
CID 51552612
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenylphenyl)acetamide
CID 8587774
2-(2,5-dimethoxyphenyl)-N-(2-phenylphenyl)acetamide
CID 78804018
1-(2-hydroxy-3-phenylphenyl)-3-(4-methoxyphenyl)urea
CID 21184692
2-[(S)-(2-chlorophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide
CID 40512822
2-[(R)-[2-(4-methoxyanilino)-2-oxoethyl]sulfinyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 51686054
cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium
CID 8770300

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[2-oxo-2-(2-phenylanilino)ethyl]sulfinylacetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[2-oxo-2-(2-phenylanilino)ethyl]sulfinylacetamide (CID 1462946) is N-(4-methoxyphenyl)-2-[2-oxo-2-(2-phenylanilino)ethyl]sulfinylacetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[2-oxo-2-(2-phenylanilino)ethyl]sulfinylacetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[2-oxo-2-(2-phenylanilino)ethyl]sulfinylacetamide is COc1ccc(NC(=O)CS(=O)CC(=O)Nc2ccccc2-c2ccccc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[2-oxo-2-(2-phenylanilino)ethyl]sulfinylacetamide?
The InChIKey is DRNVPLVGWBHMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4S/c1-29-19-13-11-18(12-14-19)24-22(26)15-30(28)16-23(27)25-21-10-6-5-9-20(21)17-7-3-2-4-8-17/h2-14H,15-16H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-(4-methoxyphenyl)-2-[2-oxo-2-(2-phenylanilino)ethyl]sulfinylacetamide?
N-(4-methoxyphenyl)-2-[2-oxo-2-(2-phenylanilino)ethyl]sulfinylacetamide has a molecular weight of 422.51 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[2-oxo-2-(2-phenylanilino)ethyl]sulfinylacetamide is sourced from PubChem (CID 1462946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).