3-amino-N-[4-(dimethylsulfamoyl)phenyl]thiophene-2-carboxamide

C13H15N3O3S2 — CID 61117853

IUPAC3-amino-N-[4-(dimethylsulfamoyl)phenyl]thiophene-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)c2sccc2N)cc1
InChIInChI=1S/C13H15N3O3S2/c1-16(2)21(18,19)10-5-3-9(4-6-10)15-13(17)12-11(14)7-8-20-12/h3-8H,14H2,1-2H3,(H,15,17)
InChIKeyUQPKWUAGQRIPQV-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.83
Rot. Bonds4

About 3-amino-N-[4-(dimethylsulfamoyl)phenyl]thiophene-2-carboxamide

3-amino-N-[4-(dimethylsulfamoyl)phenyl]thiophene-2-carboxamide (PubChem CID 61117853) has the molecular formula C13H15N3O3S2 and a molecular weight of 325.42 g/mol. Its IUPAC name is 3-amino-N-[4-(dimethylsulfamoyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(dimethylsulfamoyl)phenyl]thiophene-2-carboxamide
PubChem CID61117853
Molecular FormulaC13H15N3O3S2
Molecular Weight325.42 g/mol
Exact Mass325.06
IUPAC Name3-amino-N-[4-(dimethylsulfamoyl)phenyl]thiophene-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)c2sccc2N)cc1
InChIInChI=1S/C13H15N3O3S2/c1-16(2)21(18,19)10-5-3-9(4-6-10)15-13(17)12-11(14)7-8-20-12/h3-8H,14H2,1-2H3,(H,15,17)
InChIKeyUQPKWUAGQRIPQV-UHFFFAOYSA-N
XLogP1.83
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(4-chlorophenyl)thiophene-2-carboxamide
CID 61092440
N-[4-(dimethylsulfamoyl)phenyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 55523013
N-[4-(carbamoylamino)phenyl]-4-(dimethylsulfamoyl)benzamide
CID 33152473
propan-2-yl 4-[(3-aminothiophene-2-carbonyl)amino]benzoate
CID 61118465
4-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate
CID 6978549
4-(dimethylsulfamoyl)-N-(4-methylsulfonylphenyl)benzamide
CID 4845311
N-[4-(dimethylamino)phenyl]-4-(dimethylsulfamoyl)benzamide
CID 110756571
3-amino-N-(4-piperidin-1-ylphenyl)thiophene-2-carboxamide
CID 61110951
3-amino-N-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 61110938
N-[4-(dimethylsulfamoyl)phenyl]furan-2-carboxamide
CID 2672857
4-(dimethylsulfamoyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 18289472
N-(4-ethylphenyl)-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
CID 46391737

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(dimethylsulfamoyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-[4-(dimethylsulfamoyl)phenyl]thiophene-2-carboxamide (CID 61117853) is 3-amino-N-[4-(dimethylsulfamoyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(dimethylsulfamoyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-[4-(dimethylsulfamoyl)phenyl]thiophene-2-carboxamide is CN(C)S(=O)(=O)c1ccc(NC(=O)c2sccc2N)cc1.
What is the InChIKey of 3-amino-N-[4-(dimethylsulfamoyl)phenyl]thiophene-2-carboxamide?
The InChIKey is UQPKWUAGQRIPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S2/c1-16(2)21(18,19)10-5-3-9(4-6-10)15-13(17)12-11(14)7-8-20-12/h3-8H,14H2,1-2H3,(H,15,17).
What are the key properties of 3-amino-N-[4-(dimethylsulfamoyl)phenyl]thiophene-2-carboxamide?
3-amino-N-[4-(dimethylsulfamoyl)phenyl]thiophene-2-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(dimethylsulfamoyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 61117853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).