N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide

C23H25N3O6S3 — CID 3997101

IUPACN-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)c1
InChIInChI=1S/C23H25N3O6S3/c1-25(19-7-3-2-4-8-19)34(28,29)21-9-5-6-18(16-21)24-22(27)17-20-10-11-23(33-20)35(30,31)26-12-14-32-15-13-26/h2-11,16H,12-15,17H2,1H3,(H,24,27)
InChIKeyCWESFNDIHDFEHG-UHFFFAOYSA-N
MW535.67 g/mol
LogP2.78
Rot. Bonds8

About N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide

N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 3997101) has the molecular formula C23H25N3O6S3 and a molecular weight of 535.67 g/mol. Its IUPAC name is N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
PubChem CID3997101
Molecular FormulaC23H25N3O6S3
Molecular Weight535.67 g/mol
Exact Mass535.09
IUPAC NameN-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)c1
InChIInChI=1S/C23H25N3O6S3/c1-25(19-7-3-2-4-8-19)34(28,29)21-9-5-6-18(16-21)24-22(27)17-20-10-11-23(33-20)35(30,31)26-12-14-32-15-13-26/h2-11,16H,12-15,17H2,1H3,(H,24,27)
InChIKeyCWESFNDIHDFEHG-UHFFFAOYSA-N
XLogP2.78
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.67
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[ethyl(methyl)amino]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 60607705
N-(2-ethylphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 8839489
N-(3-hydroxyphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 78783462
[2-oxo-2-(3-phenoxyanilino)ethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
CID 23995644
N-[3-(hydroxymethyl)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 112766702
2-(N-methylanilino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 8689679
N-(3-methylsulfanylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 39754579
2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 26087846
2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 4785670
2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 8930825
2-(3-methyl-2-oxo-1-pyridinyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 56510143
3-(2,5-dioxopyrrolidin-1-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide
CID 29358158

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (CID 3997101) is N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)c1.
What is the InChIKey of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is CWESFNDIHDFEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O6S3/c1-25(19-7-3-2-4-8-19)34(28,29)21-9-5-6-18(16-21)24-22(27)17-20-10-11-23(33-20)35(30,31)26-12-14-32-15-13-26/h2-11,16H,12-15,17H2,1H3,(H,24,27).
What are the key properties of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 535.67 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 3997101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).