N-(4-morpholin-4-ylphenyl)-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinylacetamide

C23H29N3O4S — CID 24793363

IUPACN-(4-morpholin-4-ylphenyl)-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinylacetamide
SMILESCc1cc(C)c(NC(=O)CS(=O)CC(=O)Nc2ccc(N3CCOCC3)cc2)c(C)c1
InChIInChI=1S/C23H29N3O4S/c1-16-12-17(2)23(18(3)13-16)25-22(28)15-31(29)14-21(27)24-19-4-6-20(7-5-19)26-8-10-30-11-9-26/h4-7,12-13H,8-11,14-15H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyUICVYJNIYHFFAO-UHFFFAOYSA-N
MW443.57 g/mol
LogP2.77
Rot. Bonds7

About N-(4-morpholin-4-ylphenyl)-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinylacetamide

N-(4-morpholin-4-ylphenyl)-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinylacetamide (PubChem CID 24793363) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinylacetamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinylacetamide
PubChem CID24793363
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC NameN-(4-morpholin-4-ylphenyl)-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinylacetamide
SMILESCc1cc(C)c(NC(=O)CS(=O)CC(=O)Nc2ccc(N3CCOCC3)cc2)c(C)c1
InChIInChI=1S/C23H29N3O4S/c1-16-12-17(2)23(18(3)13-16)25-22(28)15-31(29)14-21(27)24-19-4-6-20(7-5-19)26-8-10-30-11-9-26/h4-7,12-13H,8-11,14-15H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyUICVYJNIYHFFAO-UHFFFAOYSA-N
XLogP2.77
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinylacetamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinylacetamide (CID 24793363) is N-(4-morpholin-4-ylphenyl)-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinylacetamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinylacetamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinylacetamide is Cc1cc(C)c(NC(=O)CS(=O)CC(=O)Nc2ccc(N3CCOCC3)cc2)c(C)c1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinylacetamide?
The InChIKey is UICVYJNIYHFFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-16-12-17(2)23(18(3)13-16)25-22(28)15-31(29)14-21(27)24-19-4-6-20(7-5-19)26-8-10-30-11-9-26/h4-7,12-13H,8-11,14-15H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of N-(4-morpholin-4-ylphenyl)-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinylacetamide?
N-(4-morpholin-4-ylphenyl)-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinylacetamide has a molecular weight of 443.57 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinylacetamide is sourced from PubChem (CID 24793363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).