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

C18H23N3O6S3 — CID 24979626

IUPAC2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1
InChIInChI=1S/C18H23N3O6S3/c19-29(23,24)16-4-1-14(2-5-16)7-8-20-17(22)13-15-3-6-18(28-15)30(25,26)21-9-11-27-12-10-21/h1-6H,7-13H2,(H,20,22)(H2,19,23,24)
InChIKeyIUDGVUZMNVYJLD-UHFFFAOYSA-N
MW473.60 g/mol
LogP0.32
Rot. Bonds8

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

2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 24979626) has the molecular formula C18H23N3O6S3 and a molecular weight of 473.60 g/mol. Its IUPAC name is 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID24979626
Molecular FormulaC18H23N3O6S3
Molecular Weight473.60 g/mol
Exact Mass473.07
IUPAC Name2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1
InChIInChI=1S/C18H23N3O6S3/c19-29(23,24)16-4-1-14(2-5-16)7-8-20-17(22)13-15-3-6-18(28-15)30(25,26)21-9-11-27-12-10-21/h1-6H,7-13H2,(H,20,22)(H2,19,23,24)
InChIKeyIUDGVUZMNVYJLD-UHFFFAOYSA-N
XLogP0.32
TPSA135.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 50.32
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
Ethyl 2-[[3-phenyl-2-(thiophen-2-ylsulfonylamino)propanoyl]amino]acetate
CID 3243538
4-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 24980274
N-(2-phenylethyl)-4-{[(thien-2-ylsulfonyl)amino]methyl}cyclohexanecarboxamide
CID 15997729
N-(2-phenylethyl)-4-[(thien-2-ylsulfonyl)amino]butanamide
CID 16194039
N-(2-phenylethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 5308267
[2-(Benzylamino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
CID 2355400
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
3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
CID 2997632
[2-Oxo-2-(2-phenylethylamino)ethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
CID 4373090
N-(3,3-diphenylpropyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 5037436

Frequently Asked Questions

What is the IUPAC name of 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 24979626) is 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1.
What is the InChIKey of 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is IUDGVUZMNVYJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O6S3/c19-29(23,24)16-4-1-14(2-5-16)7-8-20-17(22)13-15-3-6-18(28-15)30(25,26)21-9-11-27-12-10-21/h1-6H,7-13H2,(H,20,22)(H2,19,23,24).
What are the key properties of 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 473.60 g/mol, XLogP of 0.32, 8 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-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 24979626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).