3,4-dimethoxy-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide

C23H29N3O7S — CID 4521937

IUPAC3,4-dimethoxy-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)cc1OC
InChIInChI=1S/C23H29N3O7S/c1-30-21-6-3-17(15-22(21)31-2)23(27)24-19-16-18(34(28,29)26-9-13-33-14-10-26)4-5-20(19)25-7-11-32-12-8-25/h3-6,15-16H,7-14H2,1-2H3,(H,24,27)
InChIKeyOZMUKTJCPRZNCC-UHFFFAOYSA-N
MW491.57 g/mol
LogP1.81
Rot. Bonds7

About 3,4-dimethoxy-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide

3,4-dimethoxy-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide (PubChem CID 4521937) has the molecular formula C23H29N3O7S and a molecular weight of 491.57 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide
PubChem CID4521937
Molecular FormulaC23H29N3O7S
Molecular Weight491.57 g/mol
Exact Mass491.17
IUPAC Name3,4-dimethoxy-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)cc1OC
InChIInChI=1S/C23H29N3O7S/c1-30-21-6-3-17(15-22(21)31-2)23(27)24-19-16-18(34(28,29)26-9-13-33-14-10-26)4-5-20(19)25-7-11-32-12-8-25/h3-6,15-16H,7-14H2,1-2H3,(H,24,27)
InChIKeyOZMUKTJCPRZNCC-UHFFFAOYSA-N
XLogP1.81
TPSA106.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-methoxy-4-methyl-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
CID 55411892
2,4,5-trimethoxy-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 4857247
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-sulfamoylbenzamide
CID 24636022
6-methoxy-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide
CID 27283385
4-(difluoromethoxy)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 3979887
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenylbenzamide
CID 4875043
3,4,5-trimethoxy-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4850008
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyridine-4-carboxamide
CID 4852404
2-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 55329357
4-(ethylsulfamoyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 24636024
N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-2-chloropyridine-4-carboxamide
CID 55456739
3-(dimethylsulfamoyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 5029544

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide?
The IUPAC name of 3,4-dimethoxy-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide (CID 4521937) is 3,4-dimethoxy-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide?
The canonical SMILES for 3,4-dimethoxy-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide is COc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide?
The InChIKey is OZMUKTJCPRZNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O7S/c1-30-21-6-3-17(15-22(21)31-2)23(27)24-19-16-18(34(28,29)26-9-13-33-14-10-26)4-5-20(19)25-7-11-32-12-8-25/h3-6,15-16H,7-14H2,1-2H3,(H,24,27).
What are the key properties of 3,4-dimethoxy-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide?
3,4-dimethoxy-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide has a molecular weight of 491.57 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 4521937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).