N-[5-[(2-methoxy-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide

C20H25N3O7S3 — CID 100651378

IUPACN-[5-[(2-methoxy-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc(SC)c(NC(C)=O)c1
InChIInChI=1S/C20H25N3O7S3/c1-14(24)21-18-12-15(5-7-20(18)31-3)32(25,26)22-17-13-16(4-6-19(17)29-2)33(27,28)23-8-10-30-11-9-23/h4-7,12-13,22H,8-11H2,1-3H3,(H,21,24)
InChIKeyPRXPYVOYXUROGE-UHFFFAOYSA-N
MW515.64 g/mol
LogP2.20
Rot. Bonds8

About N-[5-[(2-methoxy-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide

N-[5-[(2-methoxy-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide (PubChem CID 100651378) has the molecular formula C20H25N3O7S3 and a molecular weight of 515.64 g/mol. Its IUPAC name is N-[5-[(2-methoxy-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[(2-methoxy-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide
PubChem CID100651378
Molecular FormulaC20H25N3O7S3
Molecular Weight515.64 g/mol
Exact Mass515.09
IUPAC NameN-[5-[(2-methoxy-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc(SC)c(NC(C)=O)c1
InChIInChI=1S/C20H25N3O7S3/c1-14(24)21-18-12-15(5-7-20(18)31-3)32(25,26)22-17-13-16(4-6-19(17)29-2)33(27,28)23-8-10-30-11-9-23/h4-7,12-13,22H,8-11H2,1-3H3,(H,21,24)
InChIKeyPRXPYVOYXUROGE-UHFFFAOYSA-N
XLogP2.20
TPSA131.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.64
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100501916
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylsulfanylacetamide
CID 8746733
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylpropanamide
CID 8746778
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 4058854
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenoxybenzenesulfonamide
CID 28579503
N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methylsulfanylphenyl]acetamide
CID 100710035
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2,2-diphenylacetamide
CID 3594308
N-[5-[(2-methoxy-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 100546992
4-methoxy-N-(2-methylsulfanylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 17200545
ethyl N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)carbamate
CID 9472159
N-[2-methoxy-5-[3-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 24604869
(2R)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylpentanamide
CID 8746910

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-methoxy-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide?
The IUPAC name of N-[5-[(2-methoxy-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide (CID 100651378) is N-[5-[(2-methoxy-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide.
What is the SMILES notation for N-[5-[(2-methoxy-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide?
The canonical SMILES for N-[5-[(2-methoxy-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc(SC)c(NC(C)=O)c1.
What is the InChIKey of N-[5-[(2-methoxy-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide?
The InChIKey is PRXPYVOYXUROGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O7S3/c1-14(24)21-18-12-15(5-7-20(18)31-3)32(25,26)22-17-13-16(4-6-19(17)29-2)33(27,28)23-8-10-30-11-9-23/h4-7,12-13,22H,8-11H2,1-3H3,(H,21,24).
What are the key properties of N-[5-[(2-methoxy-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide?
N-[5-[(2-methoxy-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide has a molecular weight of 515.64 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-methoxy-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide is sourced from PubChem (CID 100651378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).