4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide

C24H27N3O7S2 — CID 98392756

IUPAC4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide
SMILESC[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)NCc4ccco4)cc3)cc2)C[C@H](C)O1
InChIInChI=1S/C24H27N3O7S2/c1-17-15-27(16-18(2)34-17)36(31,32)23-9-5-19(6-10-23)24(28)26-20-7-11-22(12-8-20)35(29,30)25-14-21-4-3-13-33-21/h3-13,17-18,25H,14-16H2,1-2H3,(H,26,28)/t17-,18-/m0/s1
InChIKeyBBZFAXXURUMCKZ-ROUUACIJSA-N
MW533.63 g/mol
LogP2.81
Rot. Bonds8

About 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide

4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide (PubChem CID 98392756) has the molecular formula C24H27N3O7S2 and a molecular weight of 533.63 g/mol. Its IUPAC name is 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide
PubChem CID98392756
Molecular FormulaC24H27N3O7S2
Molecular Weight533.63 g/mol
Exact Mass533.13
IUPAC Name4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide
SMILESC[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)NCc4ccco4)cc3)cc2)C[C@H](C)O1
InChIInChI=1S/C24H27N3O7S2/c1-17-15-27(16-18(2)34-17)36(31,32)23-9-5-19(6-10-23)24(28)26-20-7-11-22(12-8-20)35(29,30)25-14-21-4-3-13-33-21/h3-13,17-18,25H,14-16H2,1-2H3,(H,26,28)/t17-,18-/m0/s1
InChIKeyBBZFAXXURUMCKZ-ROUUACIJSA-N
XLogP2.81
TPSA135.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.63
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide with MolForge

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Related Compounds

4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 2531360
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-phenylbenzamide
CID 40606298
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-phenylbenzamide
CID 6463291
N-(4-chlorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 2687824
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-hydroxyphenyl)benzamide
CID 94696380
N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-4-phenylbenzamide
CID 167754266
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 24611419
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-sulfamoylphenyl)benzamide
CID 2326585
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-[[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]benzamide
CID 2309408
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 4182161
N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]furan-3-carboxamide
CID 27018677
N-(3,4-difluorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 9165761

Frequently Asked Questions

What is the IUPAC name of 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide?
The IUPAC name of 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide (CID 98392756) is 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide is C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)NCc4ccco4)cc3)cc2)C[C@H](C)O1.
What is the InChIKey of 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide?
The InChIKey is BBZFAXXURUMCKZ-ROUUACIJSA-N. The full InChI is InChI=1S/C24H27N3O7S2/c1-17-15-27(16-18(2)34-17)36(31,32)23-9-5-19(6-10-23)24(28)26-20-7-11-22(12-8-20)35(29,30)25-14-21-4-3-13-33-21/h3-13,17-18,25H,14-16H2,1-2H3,(H,26,28)/t17-,18-/m0/s1.
What are the key properties of 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide?
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide has a molecular weight of 533.63 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 98392756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).