2-methoxy-4-methyl-N-(2-morpholin-4-ylethyl)-5-propan-2-ylbenzenesulfonamide

C17H28N2O4S — CID 1167278

IUPAC2-methoxy-4-methyl-N-(2-morpholin-4-ylethyl)-5-propan-2-ylbenzenesulfonamide
SMILESCOc1cc(C)c(C(C)C)cc1S(=O)(=O)NCCN1CCOCC1
InChIInChI=1S/C17H28N2O4S/c1-13(2)15-12-17(16(22-4)11-14(15)3)24(20,21)18-5-6-19-7-9-23-10-8-19/h11-13,18H,5-10H2,1-4H3
InChIKeyDUNGHTBUPZADNI-UHFFFAOYSA-N
MW356.49 g/mol
LogP1.74
Rot. Bonds7

About 2-methoxy-4-methyl-N-(2-morpholin-4-ylethyl)-5-propan-2-ylbenzenesulfonamide

2-methoxy-4-methyl-N-(2-morpholin-4-ylethyl)-5-propan-2-ylbenzenesulfonamide (PubChem CID 1167278) has the molecular formula C17H28N2O4S and a molecular weight of 356.49 g/mol. Its IUPAC name is 2-methoxy-4-methyl-N-(2-morpholin-4-ylethyl)-5-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-4-methyl-N-(2-morpholin-4-ylethyl)-5-propan-2-ylbenzenesulfonamide
PubChem CID1167278
Molecular FormulaC17H28N2O4S
Molecular Weight356.49 g/mol
Exact Mass356.18
IUPAC Name2-methoxy-4-methyl-N-(2-morpholin-4-ylethyl)-5-propan-2-ylbenzenesulfonamide
SMILESCOc1cc(C)c(C(C)C)cc1S(=O)(=O)NCCN1CCOCC1
InChIInChI=1S/C17H28N2O4S/c1-13(2)15-12-17(16(22-4)11-14(15)3)24(20,21)18-5-6-19-7-9-23-10-8-19/h11-13,18H,5-10H2,1-4H3
InChIKeyDUNGHTBUPZADNI-UHFFFAOYSA-N
XLogP1.74
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 650490
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CID 850074
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CID 934666
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CID 935156
CID 935156
CID 1091003
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CID 2968838
CID 2968838
CID 747985
CID 747985
CID 2280707
CID 2280707
CID 775521
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CID 991848
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CID 646491
CID 646491

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-N-(2-morpholin-4-ylethyl)-5-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-methoxy-4-methyl-N-(2-morpholin-4-ylethyl)-5-propan-2-ylbenzenesulfonamide (CID 1167278) is 2-methoxy-4-methyl-N-(2-morpholin-4-ylethyl)-5-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-methoxy-4-methyl-N-(2-morpholin-4-ylethyl)-5-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-methoxy-4-methyl-N-(2-morpholin-4-ylethyl)-5-propan-2-ylbenzenesulfonamide is COc1cc(C)c(C(C)C)cc1S(=O)(=O)NCCN1CCOCC1.
What is the InChIKey of 2-methoxy-4-methyl-N-(2-morpholin-4-ylethyl)-5-propan-2-ylbenzenesulfonamide?
The InChIKey is DUNGHTBUPZADNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4S/c1-13(2)15-12-17(16(22-4)11-14(15)3)24(20,21)18-5-6-19-7-9-23-10-8-19/h11-13,18H,5-10H2,1-4H3.
What are the key properties of 2-methoxy-4-methyl-N-(2-morpholin-4-ylethyl)-5-propan-2-ylbenzenesulfonamide?
2-methoxy-4-methyl-N-(2-morpholin-4-ylethyl)-5-propan-2-ylbenzenesulfonamide has a molecular weight of 356.49 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-N-(2-morpholin-4-ylethyl)-5-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 1167278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).