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

C17H16N4O3S2 — CID 1247259

IUPAC5-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-3-carboxamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3csc(C)c3)cc2)n1
InChIInChI=1S/C17H16N4O3S2/c1-11-7-8-18-17(19-11)21-26(23,24)15-5-3-14(4-6-15)20-16(22)13-9-12(2)25-10-13/h3-10H,1-2H3,(H,20,22)(H,18,19,21)
InChIKeyQWASBZMZELXISY-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.21
Rot. Bonds5

About 5-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-3-carboxamide

5-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-3-carboxamide (PubChem CID 1247259) has the molecular formula C17H16N4O3S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 5-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-3-carboxamide
PubChem CID1247259
Molecular FormulaC17H16N4O3S2
Molecular Weight388.47 g/mol
Exact Mass388.07
IUPAC Name5-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-3-carboxamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3csc(C)c3)cc2)n1
InChIInChI=1S/C17H16N4O3S2/c1-11-7-8-18-17(19-11)21-26(23,24)15-5-3-14(4-6-15)20-16(22)13-9-12(2)25-10-13/h3-10H,1-2H3,(H,20,22)(H,18,19,21)
InChIKeyQWASBZMZELXISY-UHFFFAOYSA-N
XLogP3.21
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-3-carboxamide?
The IUPAC name of 5-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-3-carboxamide (CID 1247259) is 5-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-3-carboxamide?
The canonical SMILES for 5-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-3-carboxamide is Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3csc(C)c3)cc2)n1.
What is the InChIKey of 5-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-3-carboxamide?
The InChIKey is QWASBZMZELXISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S2/c1-11-7-8-18-17(19-11)21-26(23,24)15-5-3-14(4-6-15)20-16(22)13-9-12(2)25-10-13/h3-10H,1-2H3,(H,20,22)(H,18,19,21).
What are the key properties of 5-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-3-carboxamide?
5-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-3-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 1247259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).