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

C18H28N2O5S — CID 2574238

IUPAC2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methylbutyl)acetamide
SMILESCOc1ccc(CC(=O)NCCC(C)C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H28N2O5S/c1-14(2)6-7-19-18(21)13-15-4-5-16(24-3)17(12-15)26(22,23)20-8-10-25-11-9-20/h4-5,12,14H,6-11,13H2,1-3H3,(H,19,21)
InChIKeyAUILCTCBDIVHCG-UHFFFAOYSA-N
MW384.50 g/mol
LogP1.42
Rot. Bonds8

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

2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methylbutyl)acetamide (PubChem CID 2574238) has the molecular formula C18H28N2O5S and a molecular weight of 384.50 g/mol. Its IUPAC name is 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methylbutyl)acetamide
PubChem CID2574238
Molecular FormulaC18H28N2O5S
Molecular Weight384.50 g/mol
Exact Mass384.17
IUPAC Name2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methylbutyl)acetamide
SMILESCOc1ccc(CC(=O)NCCC(C)C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H28N2O5S/c1-14(2)6-7-19-18(21)13-15-4-5-16(24-3)17(12-15)26(22,23)20-8-10-25-11-9-20/h4-5,12,14H,6-11,13H2,1-3H3,(H,19,21)
InChIKeyAUILCTCBDIVHCG-UHFFFAOYSA-N
XLogP1.42
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methylbutyl)acetamide (CID 2574238) is 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methylbutyl)acetamide is COc1ccc(CC(=O)NCCC(C)C)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methylbutyl)acetamide?
The InChIKey is AUILCTCBDIVHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O5S/c1-14(2)6-7-19-18(21)13-15-4-5-16(24-3)17(12-15)26(22,23)20-8-10-25-11-9-20/h4-5,12,14H,6-11,13H2,1-3H3,(H,19,21).
What are the key properties of 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methylbutyl)acetamide?
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methylbutyl)acetamide has a molecular weight of 384.50 g/mol, XLogP of 1.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 2574238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).