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

C16H20N2O4S2 — CID 2228367

IUPACN-[4-(3-ethoxypropylsulfamoyl)phenyl]thiophene-2-carboxamide
SMILESCCOCCCNS(=O)(=O)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C16H20N2O4S2/c1-2-22-11-4-10-17-24(20,21)14-8-6-13(7-9-14)18-16(19)15-5-3-12-23-15/h3,5-9,12,17H,2,4,10-11H2,1H3,(H,18,19)
InChIKeyJPHOZSCMQSMSMB-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.71
Rot. Bonds9

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

N-[4-(3-ethoxypropylsulfamoyl)phenyl]thiophene-2-carboxamide (PubChem CID 2228367) has the molecular formula C16H20N2O4S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[4-(3-ethoxypropylsulfamoyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-ethoxypropylsulfamoyl)phenyl]thiophene-2-carboxamide
PubChem CID2228367
Molecular FormulaC16H20N2O4S2
Molecular Weight368.48 g/mol
Exact Mass368.09
IUPAC NameN-[4-(3-ethoxypropylsulfamoyl)phenyl]thiophene-2-carboxamide
SMILESCCOCCCNS(=O)(=O)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C16H20N2O4S2/c1-2-22-11-4-10-17-24(20,21)14-8-6-13(7-9-14)18-16(19)15-5-3-12-23-15/h3,5-9,12,17H,2,4,10-11H2,1H3,(H,18,19)
InChIKeyJPHOZSCMQSMSMB-UHFFFAOYSA-N
XLogP2.71
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(3-ethoxypropylsulfamoyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(3-ethoxypropylsulfamoyl)phenyl]thiophene-2-carboxamide (CID 2228367) is N-[4-(3-ethoxypropylsulfamoyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(3-ethoxypropylsulfamoyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(3-ethoxypropylsulfamoyl)phenyl]thiophene-2-carboxamide is CCOCCCNS(=O)(=O)c1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-(3-ethoxypropylsulfamoyl)phenyl]thiophene-2-carboxamide?
The InChIKey is JPHOZSCMQSMSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S2/c1-2-22-11-4-10-17-24(20,21)14-8-6-13(7-9-14)18-16(19)15-5-3-12-23-15/h3,5-9,12,17H,2,4,10-11H2,1H3,(H,18,19).
What are the key properties of N-[4-(3-ethoxypropylsulfamoyl)phenyl]thiophene-2-carboxamide?
N-[4-(3-ethoxypropylsulfamoyl)phenyl]thiophene-2-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 2.71, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-ethoxypropylsulfamoyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 2228367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).