2-[[4-(dimethylsulfamoyl)benzoyl]amino]-5-phenylthiophene-3-carboxamide

C20H19N3O4S2 — CID 16857823

IUPAC2-[[4-(dimethylsulfamoyl)benzoyl]amino]-5-phenylthiophene-3-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)cc1
InChIInChI=1S/C20H19N3O4S2/c1-23(2)29(26,27)15-10-8-14(9-11-15)19(25)22-20-16(18(21)24)12-17(28-20)13-6-4-3-5-7-13/h3-12H,1-2H3,(H2,21,24)(H,22,25)
InChIKeyKTLWLEBYFGCAMP-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.02
Rot. Bonds6

About 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-5-phenylthiophene-3-carboxamide

2-[[4-(dimethylsulfamoyl)benzoyl]amino]-5-phenylthiophene-3-carboxamide (PubChem CID 16857823) has the molecular formula C20H19N3O4S2 and a molecular weight of 429.52 g/mol. Its IUPAC name is 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-5-phenylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[4-(dimethylsulfamoyl)benzoyl]amino]-5-phenylthiophene-3-carboxamide
PubChem CID16857823
Molecular FormulaC20H19N3O4S2
Molecular Weight429.52 g/mol
Exact Mass429.08
IUPAC Name2-[[4-(dimethylsulfamoyl)benzoyl]amino]-5-phenylthiophene-3-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)cc1
InChIInChI=1S/C20H19N3O4S2/c1-23(2)29(26,27)15-10-8-14(9-11-15)19(25)22-20-16(18(21)24)12-17(28-20)13-6-4-3-5-7-13/h3-12H,1-2H3,(H2,21,24)(H,22,25)
InChIKeyKTLWLEBYFGCAMP-UHFFFAOYSA-N
XLogP3.02
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-5-phenylthiophene-3-carboxamide?
The IUPAC name of 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-5-phenylthiophene-3-carboxamide (CID 16857823) is 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-5-phenylthiophene-3-carboxamide.
What is the SMILES notation for 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-5-phenylthiophene-3-carboxamide?
The canonical SMILES for 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-5-phenylthiophene-3-carboxamide is CN(C)S(=O)(=O)c1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)cc1.
What is the InChIKey of 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-5-phenylthiophene-3-carboxamide?
The InChIKey is KTLWLEBYFGCAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S2/c1-23(2)29(26,27)15-10-8-14(9-11-15)19(25)22-20-16(18(21)24)12-17(28-20)13-6-4-3-5-7-13/h3-12H,1-2H3,(H2,21,24)(H,22,25).
What are the key properties of 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-5-phenylthiophene-3-carboxamide?
2-[[4-(dimethylsulfamoyl)benzoyl]amino]-5-phenylthiophene-3-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-5-phenylthiophene-3-carboxamide is sourced from PubChem (CID 16857823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).