N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide

C23H31N3O8S2 — CID 43900980

IUPACN-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
SMILESCCCOc1ccc(N(CC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C23H31N3O8S2/c1-4-13-34-20-8-6-19(7-9-20)26(35(3,28)29)17-23(27)24-18-5-10-21(32-2)22(16-18)36(30,31)25-11-14-33-15-12-25/h5-10,16H,4,11-15,17H2,1-3H3,(H,24,27)
InChIKeyREDSTHVPHKQOPE-UHFFFAOYSA-N
MW541.65 g/mol
LogP1.91
Rot. Bonds11

About N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide

N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide (PubChem CID 43900980) has the molecular formula C23H31N3O8S2 and a molecular weight of 541.65 g/mol. Its IUPAC name is N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide.

Molecular Properties

Compound NameN-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
PubChem CID43900980
Molecular FormulaC23H31N3O8S2
Molecular Weight541.65 g/mol
Exact Mass541.16
IUPAC NameN-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
SMILESCCCOc1ccc(N(CC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C23H31N3O8S2/c1-4-13-34-20-8-6-19(7-9-20)26(35(3,28)29)17-23(27)24-18-5-10-21(32-2)22(16-18)36(30,31)25-11-14-33-15-12-25/h5-10,16H,4,11-15,17H2,1-3H3,(H,24,27)
InChIKeyREDSTHVPHKQOPE-UHFFFAOYSA-N
XLogP1.91
TPSA131.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.65
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 30220381
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 43896162
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 43896028
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 43895655
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 43897789
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 43892357
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylanilino)acetamide
CID 8689778
2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 43894503
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 51342942
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)hexanamide
CID 8800294
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 43893915
2-(3,4-dimethylphenoxy)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 25438277

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide?
The IUPAC name of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide (CID 43900980) is N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide.
What is the SMILES notation for N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide?
The canonical SMILES for N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide is CCCOc1ccc(N(CC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide?
The InChIKey is REDSTHVPHKQOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O8S2/c1-4-13-34-20-8-6-19(7-9-20)26(35(3,28)29)17-23(27)24-18-5-10-21(32-2)22(16-18)36(30,31)25-11-14-33-15-12-25/h5-10,16H,4,11-15,17H2,1-3H3,(H,24,27).
What are the key properties of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide?
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide has a molecular weight of 541.65 g/mol, XLogP of 1.91, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide is sourced from PubChem (CID 43900980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).