4-methoxy-2,6-dimethyl-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzenesulfonamide

C18H28N2O5S — CID 110348830

IUPAC4-methoxy-2,6-dimethyl-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N[C@H](C(=O)N2CCOCC2)C(C)C)c(C)c1
InChIInChI=1S/C18H28N2O5S/c1-12(2)16(18(21)20-6-8-25-9-7-20)19-26(22,23)17-13(3)10-15(24-5)11-14(17)4/h10-12,16,19H,6-9H2,1-5H3/t16-/m0/s1
InChIKeyCZOJEGBYOVSVFZ-INIZCTEOSA-N
MW384.50 g/mol
LogP1.47
Rot. Bonds6

About 4-methoxy-2,6-dimethyl-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzenesulfonamide

4-methoxy-2,6-dimethyl-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzenesulfonamide (PubChem CID 110348830) has the molecular formula C18H28N2O5S and a molecular weight of 384.50 g/mol. Its IUPAC name is 4-methoxy-2,6-dimethyl-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,6-dimethyl-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzenesulfonamide
PubChem CID110348830
Molecular FormulaC18H28N2O5S
Molecular Weight384.50 g/mol
Exact Mass384.17
IUPAC Name4-methoxy-2,6-dimethyl-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N[C@H](C(=O)N2CCOCC2)C(C)C)c(C)c1
InChIInChI=1S/C18H28N2O5S/c1-12(2)16(18(21)20-6-8-25-9-7-20)19-26(22,23)17-13(3)10-15(24-5)11-14(17)4/h10-12,16,19H,6-9H2,1-5H3/t16-/m0/s1
InChIKeyCZOJEGBYOVSVFZ-INIZCTEOSA-N
XLogP1.47
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R)-3-hydroxy-2-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]butanoic acid
CID 104935314
2-chloro-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzenesulfonamide
CID 110348840
2-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]propanoic acid
CID 43169502
2-[(2S)-4-[(2R)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]morpholin-2-yl]acetic acid
CID 97324660
4-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]morpholine-2-carboxamide
CID 47088115
4-methoxy-N-[(2S)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzenesulfonamide
CID 38047743
4-methyl-N-[(2S,3S)-3-methyl-1-[16-[(2R,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-1-oxopentan-2-yl]benzenesulfonamide
CID 124600522
methyl 3-hydroxy-2-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]propanoate
CID 43624281
4-methoxy-2,6-dimethyl-N-(2-morpholin-4-ylethoxy)benzenesulfonamide
CID 110417458
2,4,6-trimethyl-N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide
CID 30142954
3-methyl-2-(methylamino)-1-morpholin-4-ylbutan-1-one
CID 110838021
4-methoxy-2,6-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide
CID 94249243

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,6-dimethyl-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzenesulfonamide?
The IUPAC name of 4-methoxy-2,6-dimethyl-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzenesulfonamide (CID 110348830) is 4-methoxy-2,6-dimethyl-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,6-dimethyl-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-2,6-dimethyl-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzenesulfonamide is COc1cc(C)c(S(=O)(=O)N[C@H](C(=O)N2CCOCC2)C(C)C)c(C)c1.
What is the InChIKey of 4-methoxy-2,6-dimethyl-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzenesulfonamide?
The InChIKey is CZOJEGBYOVSVFZ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H28N2O5S/c1-12(2)16(18(21)20-6-8-25-9-7-20)19-26(22,23)17-13(3)10-15(24-5)11-14(17)4/h10-12,16,19H,6-9H2,1-5H3/t16-/m0/s1.
What are the key properties of 4-methoxy-2,6-dimethyl-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzenesulfonamide?
4-methoxy-2,6-dimethyl-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzenesulfonamide has a molecular weight of 384.50 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,6-dimethyl-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzenesulfonamide is sourced from PubChem (CID 110348830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).