N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]thiophene-2-carboxamide

C16H18N2O4S2 — CID 2963210

IUPACN-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NCC2CCCO2)cc1)c1cccs1
InChIInChI=1S/C16H18N2O4S2/c19-16(15-4-2-10-23-15)18-12-5-7-14(8-6-12)24(20,21)17-11-13-3-1-9-22-13/h2,4-8,10,13,17H,1,3,9,11H2,(H,18,19)
InChIKeyFYPHTDQVSLYPEY-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.46
Rot. Bonds6

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

N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]thiophene-2-carboxamide (PubChem CID 2963210) has the molecular formula C16H18N2O4S2 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]thiophene-2-carboxamide
PubChem CID2963210
Molecular FormulaC16H18N2O4S2
Molecular Weight366.46 g/mol
Exact Mass366.07
IUPAC NameN-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NCC2CCCO2)cc1)c1cccs1
InChIInChI=1S/C16H18N2O4S2/c19-16(15-4-2-10-23-15)18-12-5-7-14(8-6-12)24(20,21)17-11-13-3-1-9-22-13/h2,4-8,10,13,17H,1,3,9,11H2,(H,18,19)
InChIKeyFYPHTDQVSLYPEY-UHFFFAOYSA-N
XLogP2.46
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]thiophene-2-carboxamide (CID 2963210) is N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(S(=O)(=O)NCC2CCCO2)cc1)c1cccs1.
What is the InChIKey of N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]thiophene-2-carboxamide?
The InChIKey is FYPHTDQVSLYPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S2/c19-16(15-4-2-10-23-15)18-12-5-7-14(8-6-12)24(20,21)17-11-13-3-1-9-22-13/h2,4-8,10,13,17H,1,3,9,11H2,(H,18,19).
What are the key properties of N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]thiophene-2-carboxamide?
N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]thiophene-2-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 2963210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).