5-acetamido-N-[[4-(diethylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide

C18H23N3O4S2 — CID 24610904

IUPAC5-acetamido-N-[[4-(diethylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2ccc(NC(C)=O)s2)cc1
InChIInChI=1S/C18H23N3O4S2/c1-4-21(5-2)27(24,25)15-8-6-14(7-9-15)12-19-18(23)16-10-11-17(26-16)20-13(3)22/h6-11H,4-5,12H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyAIJLPJYBFXWJTO-UHFFFAOYSA-N
MW409.53 g/mol
LogP2.67
Rot. Bonds8

About 5-acetamido-N-[[4-(diethylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide

5-acetamido-N-[[4-(diethylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide (PubChem CID 24610904) has the molecular formula C18H23N3O4S2 and a molecular weight of 409.53 g/mol. Its IUPAC name is 5-acetamido-N-[[4-(diethylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetamido-N-[[4-(diethylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide
PubChem CID24610904
Molecular FormulaC18H23N3O4S2
Molecular Weight409.53 g/mol
Exact Mass409.11
IUPAC Name5-acetamido-N-[[4-(diethylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2ccc(NC(C)=O)s2)cc1
InChIInChI=1S/C18H23N3O4S2/c1-4-21(5-2)27(24,25)15-8-6-14(7-9-15)12-19-18(23)16-10-11-17(26-16)20-13(3)22/h6-11H,4-5,12H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyAIJLPJYBFXWJTO-UHFFFAOYSA-N
XLogP2.67
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-acetamido-N-[[4-(hydroxymethyl)phenyl]methyl]thiophene-2-carboxamide
CID 107232601
N-[[4-(diethylsulfamoyl)phenyl]methyl]prop-2-enamide
CID 66675297
5-acetyl-N-[4-(diethylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 9074206
1-benzyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
CID 41249851
N-[5-[(4-methylsulfonylphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 60553481
N,N-diethyl-4-(ethylaminomethyl)benzenesulfonamide
CID 28715770
3-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]pyrazine-2-carboxamide
CID 51312748
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,5-dimethylbenzamide
CID 9474464
N-[[4-(diethylsulfamoyl)phenyl]methyl]-1H-indazole-3-carboxamide
CID 9269012
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,5-difluorobenzamide
CID 26423277
N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-fluorobenzamide
CID 7603385
2-(4-acetamidophenyl)sulfanyl-N-[[4-(diethylsulfamoyl)phenyl]methyl]acetamide
CID 17438919

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-[[4-(diethylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-acetamido-N-[[4-(diethylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide (CID 24610904) is 5-acetamido-N-[[4-(diethylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetamido-N-[[4-(diethylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetamido-N-[[4-(diethylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide is CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2ccc(NC(C)=O)s2)cc1.
What is the InChIKey of 5-acetamido-N-[[4-(diethylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is AIJLPJYBFXWJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S2/c1-4-21(5-2)27(24,25)15-8-6-14(7-9-15)12-19-18(23)16-10-11-17(26-16)20-13(3)22/h6-11H,4-5,12H2,1-3H3,(H,19,23)(H,20,22).
What are the key properties of 5-acetamido-N-[[4-(diethylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide?
5-acetamido-N-[[4-(diethylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-[[4-(diethylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 24610904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).