N-[4-(dimethylsulfamoyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide

C18H23N3O6S3 — CID 2510848

IUPACN-[4-(dimethylsulfamoyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1
InChIInChI=1S/C18H23N3O6S3/c1-20(2)29(23,24)16-6-3-14(4-7-16)19-17(22)13-15-5-8-18(28-15)30(25,26)21-9-11-27-12-10-21/h3-8H,9-13H2,1-2H3,(H,19,22)
InChIKeyIYMSJSMMYJKPLP-UHFFFAOYSA-N
MW473.60 g/mol
LogP1.20
Rot. Bonds7

About N-[4-(dimethylsulfamoyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide

N-[4-(dimethylsulfamoyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 2510848) has the molecular formula C18H23N3O6S3 and a molecular weight of 473.60 g/mol. Its IUPAC name is N-[4-(dimethylsulfamoyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-(dimethylsulfamoyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
PubChem CID2510848
Molecular FormulaC18H23N3O6S3
Molecular Weight473.60 g/mol
Exact Mass473.07
IUPAC NameN-[4-(dimethylsulfamoyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1
InChIInChI=1S/C18H23N3O6S3/c1-20(2)29(23,24)16-6-3-14(4-7-16)19-17(22)13-15-5-8-18(28-15)30(25,26)21-9-11-27-12-10-21/h3-8H,9-13H2,1-2H3,(H,19,22)
InChIKeyIYMSJSMMYJKPLP-UHFFFAOYSA-N
XLogP1.20
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide
CID 670143
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-methylthiophene-2-carboxamide
CID 4102643
N-(3-fluorophenyl)-4-(4-morpholinylsulfonyl)-2-thiophenecarboxamide
CID 1238883
N-[4-(dipropylsulfamoyl)phenyl]-2-thiophen-2-ylacetamide
CID 2931351
N-(4-(Morpholinosulfonyl)phenyl)-5-nitrothiophene-2-carboxamide
CID 24982541
N-[4-(diethylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 730596
N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 832695
N-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-thiophen-2-ylacetamide
CID 1077847
N-{4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}-2-thiophenecarboxamide
CID 1094288
4-ethyl-5-methyl-N-[4-(4-morpholinylsulfonyl)phenyl]-3-thiophenecarboxamide
CID 1246818
N-(4-piperidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide
CID 1305863
N-(2-morpholin-4-ylphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 2084205

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (CID 2510848) is N-[4-(dimethylsulfamoyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-[4-(dimethylsulfamoyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-[4-(dimethylsulfamoyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is CN(C)S(=O)(=O)c1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1.
What is the InChIKey of N-[4-(dimethylsulfamoyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is IYMSJSMMYJKPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O6S3/c1-20(2)29(23,24)16-6-3-14(4-7-16)19-17(22)13-15-5-8-18(28-15)30(25,26)21-9-11-27-12-10-21/h3-8H,9-13H2,1-2H3,(H,19,22).
What are the key properties of N-[4-(dimethylsulfamoyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
N-[4-(dimethylsulfamoyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 473.60 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylsulfamoyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 2510848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).