2-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide

C15H18N4O3S — CID 694738

IUPAC2-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C(C)C)cc2)n1
InChIInChI=1S/C15H18N4O3S/c1-10(2)14(20)18-12-4-6-13(7-5-12)23(21,22)19-15-16-9-8-11(3)17-15/h4-10H,1-3H3,(H,18,20)(H,16,17,19)
InChIKeyKDXQNZQDCANBEM-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.18
Rot. Bonds5

About 2-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide

2-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide (PubChem CID 694738) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
PubChem CID694738
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name2-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C(C)C)cc2)n1
InChIInChI=1S/C15H18N4O3S/c1-10(2)14(20)18-12-4-6-13(7-5-12)23(21,22)19-15-16-9-8-11(3)17-15/h4-10H,1-3H3,(H,18,20)(H,16,17,19)
InChIKeyKDXQNZQDCANBEM-UHFFFAOYSA-N
XLogP2.18
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide (CID 694738) is 2-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide is Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C(C)C)cc2)n1.
What is the InChIKey of 2-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide?
The InChIKey is KDXQNZQDCANBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-10(2)14(20)18-12-4-6-13(7-5-12)23(21,22)19-15-16-9-8-11(3)17-15/h4-10H,1-3H3,(H,18,20)(H,16,17,19).
What are the key properties of 2-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide?
2-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide has a molecular weight of 334.40 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 694738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).