N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[4-(2-phenylpropan-2-yl)phenoxy]propanamide

C30H32N4O4S — CID 53266709

IUPACN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[4-(2-phenylpropan-2-yl)phenoxy]propanamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C(C)Oc3ccc(C(C)(C)c4ccccc4)cc3)cc2)n1
InChIInChI=1S/C30H32N4O4S/c1-20-19-21(2)32-29(31-20)34-39(36,37)27-17-13-25(14-18-27)33-28(35)22(3)38-26-15-11-24(12-16-26)30(4,5)23-9-7-6-8-10-23/h6-19,22H,1-5H3,(H,33,35)(H,31,32,34)
InChIKeyJLMSKMAFSBDBRJ-UHFFFAOYSA-N
MW544.68 g/mol
LogP5.63
Rot. Bonds9

About N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[4-(2-phenylpropan-2-yl)phenoxy]propanamide

N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[4-(2-phenylpropan-2-yl)phenoxy]propanamide (PubChem CID 53266709) has the molecular formula C30H32N4O4S and a molecular weight of 544.68 g/mol. Its IUPAC name is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[4-(2-phenylpropan-2-yl)phenoxy]propanamide.

Molecular Properties

Compound NameN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[4-(2-phenylpropan-2-yl)phenoxy]propanamide
PubChem CID53266709
Molecular FormulaC30H32N4O4S
Molecular Weight544.68 g/mol
Exact Mass544.21
IUPAC NameN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[4-(2-phenylpropan-2-yl)phenoxy]propanamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C(C)Oc3ccc(C(C)(C)c4ccccc4)cc3)cc2)n1
InChIInChI=1S/C30H32N4O4S/c1-20-19-21(2)32-29(31-20)34-39(36,37)27-17-13-25(14-18-27)33-28(35)22(3)38-26-15-11-24(12-16-26)30(4,5)23-9-7-6-8-10-23/h6-19,22H,1-5H3,(H,33,35)(H,31,32,34)
InChIKeyJLMSKMAFSBDBRJ-UHFFFAOYSA-N
XLogP5.63
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.68
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[4-(2-phenylpropan-2-yl)phenoxy]propanamide with MolForge

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Related Compounds

2-(4-tert-butylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 43904932
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(4-propylphenoxy)propanamide
CID 53266036
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxypropanamide
CID 3145073
2-(3-chlorophenoxy)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 5057660
2-(4-tert-butylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 2938093
(2R)-2-(4-tert-butylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 1304516
2-phenoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 3148025
(2R)-2-(4-methoxyphenoxy)-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 41479035
(2R)-2-(4-methylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 41269416
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-phenoxypropanamide
CID 4939891
2-(4-phenylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 2968466
2-phenoxy-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 4939919

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[4-(2-phenylpropan-2-yl)phenoxy]propanamide?
The IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[4-(2-phenylpropan-2-yl)phenoxy]propanamide (CID 53266709) is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[4-(2-phenylpropan-2-yl)phenoxy]propanamide.
What is the SMILES notation for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[4-(2-phenylpropan-2-yl)phenoxy]propanamide?
The canonical SMILES for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[4-(2-phenylpropan-2-yl)phenoxy]propanamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C(C)Oc3ccc(C(C)(C)c4ccccc4)cc3)cc2)n1.
What is the InChIKey of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[4-(2-phenylpropan-2-yl)phenoxy]propanamide?
The InChIKey is JLMSKMAFSBDBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O4S/c1-20-19-21(2)32-29(31-20)34-39(36,37)27-17-13-25(14-18-27)33-28(35)22(3)38-26-15-11-24(12-16-26)30(4,5)23-9-7-6-8-10-23/h6-19,22H,1-5H3,(H,33,35)(H,31,32,34).
What are the key properties of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[4-(2-phenylpropan-2-yl)phenoxy]propanamide?
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[4-(2-phenylpropan-2-yl)phenoxy]propanamide has a molecular weight of 544.68 g/mol, XLogP of 5.63, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[4-(2-phenylpropan-2-yl)phenoxy]propanamide is sourced from PubChem (CID 53266709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).