2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide

C28H33N3O9S2 — CID 43894503

IUPAC2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C28H33N3O9S2/c1-20-5-9-23(10-6-20)41(33,34)31(22-8-12-24(37-2)26(18-22)39-4)19-28(32)29-21-7-11-25(38-3)27(17-21)42(35,36)30-13-15-40-16-14-30/h5-12,17-18H,13-16,19H2,1-4H3,(H,29,32)
InChIKeyNLXLMHGHVSYYKM-UHFFFAOYSA-N
MW619.72 g/mol
LogP2.88
Rot. Bonds11

About 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide

2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 43894503) has the molecular formula C28H33N3O9S2 and a molecular weight of 619.72 g/mol. Its IUPAC name is 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID43894503
Molecular FormulaC28H33N3O9S2
Molecular Weight619.72 g/mol
Exact Mass619.17
IUPAC Name2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C28H33N3O9S2/c1-20-5-9-23(10-6-20)41(33,34)31(22-8-12-24(37-2)26(18-22)39-4)19-28(32)29-21-7-11-25(38-3)27(17-21)42(35,36)30-13-15-40-16-14-30/h5-12,17-18H,13-16,19H2,1-4H3,(H,29,32)
InChIKeyNLXLMHGHVSYYKM-UHFFFAOYSA-N
XLogP2.88
TPSA140.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500619.72
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 43894944
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 43893915
2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 43893843
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4164776
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 43892357
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 43897789
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43893702
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 43896028
2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 43897674
N-(3,4-dimethoxyphenyl)-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51343967
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 43898819
methyl 2-chloro-5-[[2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoate
CID 21371829

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide (CID 43894503) is 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide is COc1ccc(N(CC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is NLXLMHGHVSYYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O9S2/c1-20-5-9-23(10-6-20)41(33,34)31(22-8-12-24(37-2)26(18-22)39-4)19-28(32)29-21-7-11-25(38-3)27(17-21)42(35,36)30-13-15-40-16-14-30/h5-12,17-18H,13-16,19H2,1-4H3,(H,29,32).
What are the key properties of 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 619.72 g/mol, XLogP of 2.88, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 43894503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).