2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide

C17H21N3O6S3 — CID 24982549

IUPAC2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1
InChIInChI=1S/C17H21N3O6S3/c18-28(22,23)15-4-1-13(2-5-15)12-19-16(21)11-14-3-6-17(27-14)29(24,25)20-7-9-26-10-8-20/h1-6H,7-12H2,(H,19,21)(H2,18,22,23)
InChIKeySDOCWBXGJSXFQX-UHFFFAOYSA-N
MW459.57 g/mol
LogP0.28
Rot. Bonds7

About 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide

2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide (PubChem CID 24982549) has the molecular formula C17H21N3O6S3 and a molecular weight of 459.57 g/mol. Its IUPAC name is 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
PubChem CID24982549
Molecular FormulaC17H21N3O6S3
Molecular Weight459.57 g/mol
Exact Mass459.06
IUPAC Name2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1
InChIInChI=1S/C17H21N3O6S3/c18-28(22,23)15-4-1-13(2-5-15)12-19-16(21)11-14-3-6-17(27-14)29(24,25)20-7-9-26-10-8-20/h1-6H,7-12H2,(H,19,21)(H2,18,22,23)
InChIKeySDOCWBXGJSXFQX-UHFFFAOYSA-N
XLogP0.28
TPSA135.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-(4-(aminosulfonyl)phenyl)ethyl)-2-(2-thienyl)acetamide
CID 670786
N-[(4-sulfamoylphenyl)methyl]-2-thiophen-2-ylacetamide
CID 694792
4-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 24980274
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 4845856
N-[(4-methylphenyl)methyl]-4-[(thiophene-2-sulfonamido)methyl]cyclohexane-1-carboxamide
CID 5322912
N-benzyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 5322919
4-[4-(Morpholin-4-ylmethyl)phenyl]sulfonylthiophene-2-sulfonamide;hydrochloride
CID 20033682
N-[[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]methyl]benzamide
CID 2823611
[2-(Benzylamino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
CID 2355400
[2-[(4-Methylphenyl)methylamino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 2435701
4-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 2525856
N-methyl-3-(4-morpholin-4-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 2561079

Frequently Asked Questions

What is the IUPAC name of 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The IUPAC name of 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide (CID 24982549) is 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The canonical SMILES for 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide is NS(=O)(=O)c1ccc(CNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1.
What is the InChIKey of 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The InChIKey is SDOCWBXGJSXFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O6S3/c18-28(22,23)15-4-1-13(2-5-15)12-19-16(21)11-14-3-6-17(27-14)29(24,25)20-7-9-26-10-8-20/h1-6H,7-12H2,(H,19,21)(H2,18,22,23).
What are the key properties of 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide has a molecular weight of 459.57 g/mol, XLogP of 0.28, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide is sourced from PubChem (CID 24982549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).