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

C19H18N4O3S — CID 1218957

IUPACN-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenylacetamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)n1
InChIInChI=1S/C19H18N4O3S/c1-14-11-12-20-19(21-14)23-27(25,26)17-9-7-16(8-10-17)22-18(24)13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,22,24)(H,20,21,23)
InChIKeyADIGYJPISRQNFC-UHFFFAOYSA-N
MW382.45 g/mol
LogP2.77
Rot. Bonds6

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

N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenylacetamide (PubChem CID 1218957) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenylacetamide
PubChem CID1218957
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC NameN-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenylacetamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)n1
InChIInChI=1S/C19H18N4O3S/c1-14-11-12-20-19(21-14)23-27(25,26)17-9-7-16(8-10-17)22-18(24)13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,22,24)(H,20,21,23)
InChIKeyADIGYJPISRQNFC-UHFFFAOYSA-N
XLogP2.77
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenylacetamide?
The IUPAC name of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenylacetamide (CID 1218957) is N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenylacetamide?
The canonical SMILES for N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenylacetamide is Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)n1.
What is the InChIKey of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenylacetamide?
The InChIKey is ADIGYJPISRQNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-14-11-12-20-19(21-14)23-27(25,26)17-9-7-16(8-10-17)22-18(24)13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,22,24)(H,20,21,23).
What are the key properties of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenylacetamide?
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenylacetamide has a molecular weight of 382.45 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenylacetamide is sourced from PubChem (CID 1218957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).