N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-(morpholin-4-ylmethyl)benzamide

C23H29N3O6S — CID 38019961

IUPACN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-(morpholin-4-ylmethyl)benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C23H29N3O6S/c1-30-22-6-5-20(33(28,29)26-9-13-32-14-10-26)16-21(22)24-23(27)19-4-2-3-18(15-19)17-25-7-11-31-12-8-25/h2-6,15-16H,7-14,17H2,1H3,(H,24,27)
InChIKeyNDDYVODISBZPIW-UHFFFAOYSA-N
MW475.57 g/mol
LogP1.80
Rot. Bonds7

About N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-(morpholin-4-ylmethyl)benzamide

N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-(morpholin-4-ylmethyl)benzamide (PubChem CID 38019961) has the molecular formula C23H29N3O6S and a molecular weight of 475.57 g/mol. Its IUPAC name is N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-(morpholin-4-ylmethyl)benzamide
PubChem CID38019961
Molecular FormulaC23H29N3O6S
Molecular Weight475.57 g/mol
Exact Mass475.18
IUPAC NameN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-(morpholin-4-ylmethyl)benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C23H29N3O6S/c1-30-22-6-5-20(33(28,29)26-9-13-32-14-10-26)16-21(22)24-23(27)19-4-2-3-18(15-19)17-25-7-11-31-12-8-25/h2-6,15-16H,7-14,17H2,1H3,(H,24,27)
InChIKeyNDDYVODISBZPIW-UHFFFAOYSA-N
XLogP1.80
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,5-dimethoxyphenyl)-3-(morpholin-4-ylmethyl)benzamide
CID 28572616
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenoxybenzamide
CID 3665512
3-(dimethylsulfamoyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 5029544
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenylbenzamide
CID 4875043
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-sulfamoylbenzamide
CID 24636022
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyridine-4-carboxamide
CID 4852404
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(3-methoxyphenyl)acetamide
CID 7998229
4-(ethylsulfamoyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 24636024
6-methoxy-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide
CID 27283385
3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(4-chloro-2,5-dimethoxyphenyl)benzamide
CID 43925690
N-[2-methoxy-5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 8799957
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 7733250

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-(morpholin-4-ylmethyl)benzamide?
The IUPAC name of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-(morpholin-4-ylmethyl)benzamide (CID 38019961) is N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-(morpholin-4-ylmethyl)benzamide.
What is the SMILES notation for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-(morpholin-4-ylmethyl)benzamide?
The canonical SMILES for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-(morpholin-4-ylmethyl)benzamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc(CN2CCOCC2)c1.
What is the InChIKey of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-(morpholin-4-ylmethyl)benzamide?
The InChIKey is NDDYVODISBZPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O6S/c1-30-22-6-5-20(33(28,29)26-9-13-32-14-10-26)16-21(22)24-23(27)19-4-2-3-18(15-19)17-25-7-11-31-12-8-25/h2-6,15-16H,7-14,17H2,1H3,(H,24,27).
What are the key properties of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-(morpholin-4-ylmethyl)benzamide?
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-(morpholin-4-ylmethyl)benzamide has a molecular weight of 475.57 g/mol, XLogP of 1.80, 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)-3-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 38019961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).