2-methyl-2-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide

C20H20N4O3S — CID 34947849

IUPAC2-methyl-2-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(C)(C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccccc1
InChIInChI=1S/C20H20N4O3S/c1-20(2,15-7-4-3-5-8-15)18(25)23-16-9-11-17(12-10-16)28(26,27)24-19-21-13-6-14-22-19/h3-14H,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyFRCBIVCRSHKCNL-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.19
Rot. Bonds6

About 2-methyl-2-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide

2-methyl-2-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 34947849) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is 2-methyl-2-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-2-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
PubChem CID34947849
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC Name2-methyl-2-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(C)(C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccccc1
InChIInChI=1S/C20H20N4O3S/c1-20(2,15-7-4-3-5-8-15)18(25)23-16-9-11-17(12-10-16)28(26,27)24-19-21-13-6-14-22-19/h3-14H,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyFRCBIVCRSHKCNL-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-methyl-2-phenylpropanamide
CID 55527551
4-tert-butyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683562
2,2-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 4185684
N-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamoyl]benzamide
CID 1179236
3,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 1164323
(Z)-2-methyl-3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 1314273
2-methoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 700857
4-oxo-4-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 12042500
2-phenoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 3148025
4-hydroxy-3,3-dimethyl-2-phenylmethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 561959
1-(4-chlorophenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]urea
CID 2200922
(2R)-2-(4-tert-butylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 1304516

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of 2-methyl-2-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide (CID 34947849) is 2-methyl-2-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 2-methyl-2-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 2-methyl-2-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide is CC(C)(C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccccc1.
What is the InChIKey of 2-methyl-2-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is FRCBIVCRSHKCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-20(2,15-7-4-3-5-8-15)18(25)23-16-9-11-17(12-10-16)28(26,27)24-19-21-13-6-14-22-19/h3-14H,1-2H3,(H,23,25)(H,21,22,24).
What are the key properties of 2-methyl-2-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?
2-methyl-2-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 396.47 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 34947849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).