3-methyl-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]thiophene-2-carboxamide

C16H16N2O5S2 — CID 126756705

IUPAC3-methyl-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1ccc(S(=O)(=O)NC2CCOC2=O)cc1
InChIInChI=1S/C16H16N2O5S2/c1-10-7-9-24-14(10)15(19)17-11-2-4-12(5-3-11)25(21,22)18-13-6-8-23-16(13)20/h2-5,7,9,13,18H,6,8H2,1H3,(H,17,19)
InChIKeyUEPGHXBXZKWPAB-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.90
Rot. Bonds5

About 3-methyl-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]thiophene-2-carboxamide

3-methyl-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 126756705) has the molecular formula C16H16N2O5S2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 3-methyl-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]thiophene-2-carboxamide
PubChem CID126756705
Molecular FormulaC16H16N2O5S2
Molecular Weight380.45 g/mol
Exact Mass380.05
IUPAC Name3-methyl-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1ccc(S(=O)(=O)NC2CCOC2=O)cc1
InChIInChI=1S/C16H16N2O5S2/c1-10-7-9-24-14(10)15(19)17-11-2-4-12(5-3-11)25(21,22)18-13-6-8-23-16(13)20/h2-5,7,9,13,18H,6,8H2,1H3,(H,17,19)
InChIKeyUEPGHXBXZKWPAB-UHFFFAOYSA-N
XLogP1.90
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]thiophene-2-carboxamide (CID 126756705) is 3-methyl-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]thiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1ccc(S(=O)(=O)NC2CCOC2=O)cc1.
What is the InChIKey of 3-methyl-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is UEPGHXBXZKWPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S2/c1-10-7-9-24-14(10)15(19)17-11-2-4-12(5-3-11)25(21,22)18-13-6-8-23-16(13)20/h2-5,7,9,13,18H,6,8H2,1H3,(H,17,19).
What are the key properties of 3-methyl-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]thiophene-2-carboxamide?
3-methyl-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 126756705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).