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

C24H31N3O8S — CID 4857247

IUPAC2,4,5-trimethoxy-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCOc1cc(OC)c(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)cc1OC
InChIInChI=1S/C24H31N3O8S/c1-31-21-16-23(33-3)22(32-2)15-18(21)24(28)25-19-14-17(36(29,30)27-8-12-35-13-9-27)4-5-20(19)26-6-10-34-11-7-26/h4-5,14-16H,6-13H2,1-3H3,(H,25,28)
InChIKeyRQLGGBAIWQJXAB-UHFFFAOYSA-N
MW521.59 g/mol
LogP1.82
Rot. Bonds8

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

2,4,5-trimethoxy-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide (PubChem CID 4857247) has the molecular formula C24H31N3O8S and a molecular weight of 521.59 g/mol. Its IUPAC name is 2,4,5-trimethoxy-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2,4,5-trimethoxy-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide
PubChem CID4857247
Molecular FormulaC24H31N3O8S
Molecular Weight521.59 g/mol
Exact Mass521.18
IUPAC Name2,4,5-trimethoxy-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCOc1cc(OC)c(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)cc1OC
InChIInChI=1S/C24H31N3O8S/c1-31-21-16-23(33-3)22(32-2)15-18(21)24(28)25-19-14-17(36(29,30)27-8-12-35-13-9-27)4-5-20(19)26-6-10-34-11-7-26/h4-5,14-16H,6-13H2,1-3H3,(H,25,28)
InChIKeyRQLGGBAIWQJXAB-UHFFFAOYSA-N
XLogP1.82
TPSA115.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.59
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3,4-dimethoxy-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 4521937
2,5-dimethyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)thiophene-3-carboxamide
CID 31010638
3-methoxy-4-methyl-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
CID 55411892
2-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26210560
2,4-difluoro-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
CID 3951129
N-(2-chlorophenyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 18195774
methyl 2,4-difluoro-5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 24659342
N-(2,4-dibromophenyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 16561045
methyl 3-[(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)amino]-4-pyrrolidin-1-ylbenzoate
CID 55516935
2,5-difluoro-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
CID 55375411
4-(difluoromethoxy)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 3979887
N-(5-bromo-2-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzamide
CID 55394956

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethoxy-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide?
The IUPAC name of 2,4,5-trimethoxy-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide (CID 4857247) is 2,4,5-trimethoxy-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 2,4,5-trimethoxy-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide?
The canonical SMILES for 2,4,5-trimethoxy-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide is COc1cc(OC)c(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)cc1OC.
What is the InChIKey of 2,4,5-trimethoxy-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide?
The InChIKey is RQLGGBAIWQJXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O8S/c1-31-21-16-23(33-3)22(32-2)15-18(21)24(28)25-19-14-17(36(29,30)27-8-12-35-13-9-27)4-5-20(19)26-6-10-34-11-7-26/h4-5,14-16H,6-13H2,1-3H3,(H,25,28).
What are the key properties of 2,4,5-trimethoxy-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide?
2,4,5-trimethoxy-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide has a molecular weight of 521.59 g/mol, XLogP of 1.82, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethoxy-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 4857247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).