4-(3-phenylpropylsulfamoyl)thiophene-2-carboxamide

C14H16N2O3S2 — CID 20900815

IUPAC4-(3-phenylpropylsulfamoyl)thiophene-2-carboxamide
SMILESNC(=O)c1cc(S(=O)(=O)NCCCc2ccccc2)cs1
InChIInChI=1S/C14H16N2O3S2/c15-14(17)13-9-12(10-20-13)21(18,19)16-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10,16H,4,7-8H2,(H2,15,17)
InChIKeyQBRQAWQDERBIMV-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.76
Rot. Bonds7

About 4-(3-phenylpropylsulfamoyl)thiophene-2-carboxamide

4-(3-phenylpropylsulfamoyl)thiophene-2-carboxamide (PubChem CID 20900815) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 4-(3-phenylpropylsulfamoyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-(3-phenylpropylsulfamoyl)thiophene-2-carboxamide
PubChem CID20900815
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC Name4-(3-phenylpropylsulfamoyl)thiophene-2-carboxamide
SMILESNC(=O)c1cc(S(=O)(=O)NCCCc2ccccc2)cs1
InChIInChI=1S/C14H16N2O3S2/c15-14(17)13-9-12(10-20-13)21(18,19)16-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10,16H,4,7-8H2,(H2,15,17)
InChIKeyQBRQAWQDERBIMV-UHFFFAOYSA-N
XLogP1.76
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.76
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 4-(3-phenylpropylsulfamoyl)thiophene-2-carboxamide?
The IUPAC name of 4-(3-phenylpropylsulfamoyl)thiophene-2-carboxamide (CID 20900815) is 4-(3-phenylpropylsulfamoyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-(3-phenylpropylsulfamoyl)thiophene-2-carboxamide?
The canonical SMILES for 4-(3-phenylpropylsulfamoyl)thiophene-2-carboxamide is NC(=O)c1cc(S(=O)(=O)NCCCc2ccccc2)cs1.
What is the InChIKey of 4-(3-phenylpropylsulfamoyl)thiophene-2-carboxamide?
The InChIKey is QBRQAWQDERBIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c15-14(17)13-9-12(10-20-13)21(18,19)16-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10,16H,4,7-8H2,(H2,15,17).
What are the key properties of 4-(3-phenylpropylsulfamoyl)thiophene-2-carboxamide?
4-(3-phenylpropylsulfamoyl)thiophene-2-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylpropylsulfamoyl)thiophene-2-carboxamide is sourced from PubChem (CID 20900815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).