N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide

C27H26N4O5S — CID 4954948

IUPACN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(OCCOc4ccccc4)c3)cc2)n1
InChIInChI=1S/C27H26N4O5S/c1-19-17-20(2)29-27(28-19)31-37(33,34)25-13-11-22(12-14-25)30-26(32)21-7-6-10-24(18-21)36-16-15-35-23-8-4-3-5-9-23/h3-14,17-18H,15-16H2,1-2H3,(H,30,32)(H,28,29,31)
InChIKeySUJWOIGUQTWNQI-UHFFFAOYSA-N
MW518.60 g/mol
LogP4.60
Rot. Bonds10

About N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide

N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide (PubChem CID 4954948) has the molecular formula C27H26N4O5S and a molecular weight of 518.60 g/mol. Its IUPAC name is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide.

Molecular Properties

Compound NameN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide
PubChem CID4954948
Molecular FormulaC27H26N4O5S
Molecular Weight518.60 g/mol
Exact Mass518.16
IUPAC NameN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(OCCOc4ccccc4)c3)cc2)n1
InChIInChI=1S/C27H26N4O5S/c1-19-17-20(2)29-27(28-19)31-37(33,34)25-13-11-22(12-14-25)30-26(32)21-7-6-10-24(18-21)36-16-15-35-23-8-4-3-5-9-23/h3-14,17-18H,15-16H2,1-2H3,(H,30,32)(H,28,29,31)
InChIKeySUJWOIGUQTWNQI-UHFFFAOYSA-N
XLogP4.60
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.60
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(2-phenylethoxy)benzamide
CID 17134316
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 43885433
N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-4-(2-phenoxyethoxy)benzamide
CID 4953011
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 1116398
3-(2-phenoxyethoxy)-N-(4-sulfamoylphenyl)benzamide
CID 4954916
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(2-ethoxyethoxy)benzamide
CID 17139622
N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-3-(2-phenoxyethoxy)benzamide
CID 4955325
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19271029
N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide
CID 17140558
1-N,2-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzene-1,2-dicarboxamide
CID 4549702
3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958264
N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide
CID 4960126

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide?
The IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide (CID 4954948) is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide.
What is the SMILES notation for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide?
The canonical SMILES for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(OCCOc4ccccc4)c3)cc2)n1.
What is the InChIKey of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide?
The InChIKey is SUJWOIGUQTWNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O5S/c1-19-17-20(2)29-27(28-19)31-37(33,34)25-13-11-22(12-14-25)30-26(32)21-7-6-10-24(18-21)36-16-15-35-23-8-4-3-5-9-23/h3-14,17-18H,15-16H2,1-2H3,(H,30,32)(H,28,29,31).
What are the key properties of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide?
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide has a molecular weight of 518.60 g/mol, XLogP of 4.60, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide is sourced from PubChem (CID 4954948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).