N-[4-(butylsulfamoyl)phenyl]thiophene-2-carboxamide

C15H18N2O3S2 — CID 2188561

IUPACN-[4-(butylsulfamoyl)phenyl]thiophene-2-carboxamide
SMILESCCCCNS(=O)(=O)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C15H18N2O3S2/c1-2-3-10-16-22(19,20)13-8-6-12(7-9-13)17-15(18)14-5-4-11-21-14/h4-9,11,16H,2-3,10H2,1H3,(H,17,18)
InChIKeyFMDMITMSARKEPS-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.08
Rot. Bonds7

About N-[4-(butylsulfamoyl)phenyl]thiophene-2-carboxamide

N-[4-(butylsulfamoyl)phenyl]thiophene-2-carboxamide (PubChem CID 2188561) has the molecular formula C15H18N2O3S2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[4-(butylsulfamoyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(butylsulfamoyl)phenyl]thiophene-2-carboxamide
PubChem CID2188561
Molecular FormulaC15H18N2O3S2
Molecular Weight338.45 g/mol
Exact Mass338.08
IUPAC NameN-[4-(butylsulfamoyl)phenyl]thiophene-2-carboxamide
SMILESCCCCNS(=O)(=O)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C15H18N2O3S2/c1-2-3-10-16-22(19,20)13-8-6-12(7-9-13)17-15(18)14-5-4-11-21-14/h4-9,11,16H,2-3,10H2,1H3,(H,17,18)
InChIKeyFMDMITMSARKEPS-UHFFFAOYSA-N
XLogP3.08
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(butylsulfamoyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(butylsulfamoyl)phenyl]thiophene-2-carboxamide (CID 2188561) is N-[4-(butylsulfamoyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(butylsulfamoyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(butylsulfamoyl)phenyl]thiophene-2-carboxamide is CCCCNS(=O)(=O)c1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-(butylsulfamoyl)phenyl]thiophene-2-carboxamide?
The InChIKey is FMDMITMSARKEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S2/c1-2-3-10-16-22(19,20)13-8-6-12(7-9-13)17-15(18)14-5-4-11-21-14/h4-9,11,16H,2-3,10H2,1H3,(H,17,18).
What are the key properties of N-[4-(butylsulfamoyl)phenyl]thiophene-2-carboxamide?
N-[4-(butylsulfamoyl)phenyl]thiophene-2-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butylsulfamoyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 2188561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).