N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-piperidin-1-ylsulfonylbenzamide

C23H29N3O7S2 — CID 4850076

IUPACN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C23H29N3O7S2/c1-32-22-10-9-20(35(30,31)26-13-15-33-16-14-26)17-21(22)24-23(27)18-5-7-19(8-6-18)34(28,29)25-11-3-2-4-12-25/h5-10,17H,2-4,11-16H2,1H3,(H,24,27)
InChIKeyFKGUZDXQWSHIME-UHFFFAOYSA-N
MW523.63 g/mol
LogP2.14
Rot. Bonds7

About N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-piperidin-1-ylsulfonylbenzamide

N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-piperidin-1-ylsulfonylbenzamide (PubChem CID 4850076) has the molecular formula C23H29N3O7S2 and a molecular weight of 523.63 g/mol. Its IUPAC name is N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-piperidin-1-ylsulfonylbenzamide
PubChem CID4850076
Molecular FormulaC23H29N3O7S2
Molecular Weight523.63 g/mol
Exact Mass523.14
IUPAC NameN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C23H29N3O7S2/c1-32-22-10-9-20(35(30,31)26-13-15-33-16-14-26)17-21(22)24-23(27)18-5-7-19(8-6-18)34(28,29)25-11-3-2-4-12-25/h5-10,17H,2-4,11-16H2,1H3,(H,24,27)
InChIKeyFKGUZDXQWSHIME-UHFFFAOYSA-N
XLogP2.14
TPSA122.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.63
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 2083341
N-(2-methoxy-5-{[(tetrahydro-2-furanylmethyl)amino]sulfonyl}phenyl)benzamide
CID 2987883
3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(2-methoxyphenyl)propanamide
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CID 2463208
4-[(2-methoxyphenyl)sulfamoyl]-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 2519306
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenoxybutanamide
CID 3354639
4-(diethylsulfamoyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 3557212
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenoxy)acetamide
CID 3647605
Ethyl 4-[(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]benzoate
CID 4585809
N-[[4-[(2-methoxy-5-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]methyl]acetamide
CID 4689808
T5247935
CID 5216904

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-piperidin-1-ylsulfonylbenzamide (CID 4850076) is N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-piperidin-1-ylsulfonylbenzamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-piperidin-1-ylsulfonylbenzamide?
The InChIKey is FKGUZDXQWSHIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O7S2/c1-32-22-10-9-20(35(30,31)26-13-15-33-16-14-26)17-21(22)24-23(27)18-5-7-19(8-6-18)34(28,29)25-11-3-2-4-12-25/h5-10,17H,2-4,11-16H2,1H3,(H,24,27).
What are the key properties of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-piperidin-1-ylsulfonylbenzamide?
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-piperidin-1-ylsulfonylbenzamide has a molecular weight of 523.63 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 4850076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).