2-(2-acetylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide

C21H25N3O6S — CID 4839884

IUPAC2-(2-acetylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNc2ccccc2C(C)=O)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H25N3O6S/c1-15(25)17-5-3-4-6-18(17)22-14-21(26)23-16-7-8-19(29-2)20(13-16)31(27,28)24-9-11-30-12-10-24/h3-8,13,22H,9-12,14H2,1-2H3,(H,23,26)
InChIKeyGLSALEOIRQTAKR-UHFFFAOYSA-N
MW447.51 g/mol
LogP1.97
Rot. Bonds8

About 2-(2-acetylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide

2-(2-acetylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 4839884) has the molecular formula C21H25N3O6S and a molecular weight of 447.51 g/mol. Its IUPAC name is 2-(2-acetylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-acetylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID4839884
Molecular FormulaC21H25N3O6S
Molecular Weight447.51 g/mol
Exact Mass447.15
IUPAC Name2-(2-acetylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNc2ccccc2C(C)=O)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H25N3O6S/c1-15(25)17-5-3-4-6-18(17)22-14-21(26)23-16-7-8-19(29-2)20(13-16)31(27,28)24-9-11-30-12-10-24/h3-8,13,22H,9-12,14H2,1-2H3,(H,23,26)
InChIKeyGLSALEOIRQTAKR-UHFFFAOYSA-N
XLogP1.97
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-acetylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2-acetylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide (CID 4839884) is 2-(2-acetylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2-acetylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2-acetylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide is COc1ccc(NC(=O)CNc2ccccc2C(C)=O)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 2-(2-acetylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is GLSALEOIRQTAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O6S/c1-15(25)17-5-3-4-6-18(17)22-14-21(26)23-16-7-8-19(29-2)20(13-16)31(27,28)24-9-11-30-12-10-24/h3-8,13,22H,9-12,14H2,1-2H3,(H,23,26).
What are the key properties of 2-(2-acetylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
2-(2-acetylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 447.51 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 4839884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).