N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-thiophen-2-ylacetamide

C17H16N4O3S2 — CID 1147557

IUPACN-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-thiophen-2-ylacetamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)Cc3cccs3)cc2)n1
InChIInChI=1S/C17H16N4O3S2/c1-12-8-9-18-17(19-12)21-26(23,24)15-6-4-13(5-7-15)20-16(22)11-14-3-2-10-25-14/h2-10H,11H2,1H3,(H,20,22)(H,18,19,21)
InChIKeyBDLYIVHHINLIET-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.83
Rot. Bonds6

About N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-thiophen-2-ylacetamide

N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-thiophen-2-ylacetamide (PubChem CID 1147557) has the molecular formula C17H16N4O3S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-thiophen-2-ylacetamide
PubChem CID1147557
Molecular FormulaC17H16N4O3S2
Molecular Weight388.47 g/mol
Exact Mass388.07
IUPAC NameN-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-thiophen-2-ylacetamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)Cc3cccs3)cc2)n1
InChIInChI=1S/C17H16N4O3S2/c1-12-8-9-18-17(19-12)21-26(23,24)15-6-4-13(5-7-15)20-16(22)11-14-3-2-10-25-14/h2-10H,11H2,1H3,(H,20,22)(H,18,19,21)
InChIKeyBDLYIVHHINLIET-UHFFFAOYSA-N
XLogP2.83
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-thiophen-2-ylacetamide (CID 1147557) is N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-thiophen-2-ylacetamide is Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)Cc3cccs3)cc2)n1.
What is the InChIKey of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-thiophen-2-ylacetamide?
The InChIKey is BDLYIVHHINLIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S2/c1-12-8-9-18-17(19-12)21-26(23,24)15-6-4-13(5-7-15)20-16(22)11-14-3-2-10-25-14/h2-10H,11H2,1H3,(H,20,22)(H,18,19,21).
What are the key properties of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-thiophen-2-ylacetamide?
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-thiophen-2-ylacetamide has a molecular weight of 388.47 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 1147557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).