N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenylacetamide

C20H20N4O3S — CID 1011006

IUPACN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenylacetamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)n1
InChIInChI=1S/C20H20N4O3S/c1-14-12-15(2)22-20(21-14)24-28(26,27)18-10-8-17(9-11-18)23-19(25)13-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,23,25)(H,21,22,24)
InChIKeySIZHFWNZQVRVIV-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.08
Rot. Bonds6

About N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenylacetamide

N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenylacetamide (PubChem CID 1011006) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenylacetamide
PubChem CID1011006
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC NameN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenylacetamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)n1
InChIInChI=1S/C20H20N4O3S/c1-14-12-15(2)22-20(21-14)24-28(26,27)18-10-8-17(9-11-18)23-19(25)13-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,23,25)(H,21,22,24)
InChIKeySIZHFWNZQVRVIV-UHFFFAOYSA-N
XLogP3.08
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenylacetamide?
The IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenylacetamide (CID 1011006) is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenylacetamide?
The canonical SMILES for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenylacetamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)n1.
What is the InChIKey of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenylacetamide?
The InChIKey is SIZHFWNZQVRVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-14-12-15(2)22-20(21-14)24-28(26,27)18-10-8-17(9-11-18)23-19(25)13-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,23,25)(H,21,22,24).
What are the key properties of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenylacetamide?
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenylacetamide has a molecular weight of 396.47 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenylacetamide is sourced from PubChem (CID 1011006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).