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

C27H26N4O4S — CID 17134316

IUPACN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(2-phenylethoxy)benzamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(OCCc4ccccc4)c3)cc2)n1
InChIInChI=1S/C27H26N4O4S/c1-19-17-20(2)29-27(28-19)31-36(33,34)25-13-11-23(12-14-25)30-26(32)22-9-6-10-24(18-22)35-16-15-21-7-4-3-5-8-21/h3-14,17-18H,15-16H2,1-2H3,(H,30,32)(H,28,29,31)
InChIKeyZZMYGGKCEFXJNC-UHFFFAOYSA-N
MW502.60 g/mol
LogP4.77
Rot. Bonds9

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

N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(2-phenylethoxy)benzamide (PubChem CID 17134316) has the molecular formula C27H26N4O4S and a molecular weight of 502.60 g/mol. Its IUPAC name is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(2-phenylethoxy)benzamide.

Molecular Properties

Compound NameN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(2-phenylethoxy)benzamide
PubChem CID17134316
Molecular FormulaC27H26N4O4S
Molecular Weight502.60 g/mol
Exact Mass502.17
IUPAC NameN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(2-phenylethoxy)benzamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(OCCc4ccccc4)c3)cc2)n1
InChIInChI=1S/C27H26N4O4S/c1-19-17-20(2)29-27(28-19)31-36(33,34)25-13-11-23(12-14-25)30-26(32)22-9-6-10-24(18-22)35-16-15-21-7-4-3-5-8-21/h3-14,17-18H,15-16H2,1-2H3,(H,30,32)(H,28,29,31)
InChIKeyZZMYGGKCEFXJNC-UHFFFAOYSA-N
XLogP4.77
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.60
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide
CID 4954948
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 43885433
N-naphthalen-2-yl-3-(2-phenylethoxy)benzamide
CID 17232036
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-4-(2-phenylethoxy)benzamide
CID 4956376
N-[4-(butanoylamino)phenyl]-3-(2-phenylethoxy)benzamide
CID 17202577
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
N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide
CID 17140558
3-(2-methylpropoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17140363
N-(4-benzamido-3-methylphenyl)-3-(2-phenylethoxy)benzamide
CID 54781723
N-(4-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethoxy)benzamide
CID 17134329
3-[[3-(2-phenylethoxy)benzoyl]amino]-N-propan-2-ylbenzamide
CID 17197538

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(2-phenylethoxy)benzamide?
The IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(2-phenylethoxy)benzamide (CID 17134316) is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(2-phenylethoxy)benzamide.
What is the SMILES notation for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(2-phenylethoxy)benzamide?
The canonical SMILES for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(2-phenylethoxy)benzamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(OCCc4ccccc4)c3)cc2)n1.
What is the InChIKey of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(2-phenylethoxy)benzamide?
The InChIKey is ZZMYGGKCEFXJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O4S/c1-19-17-20(2)29-27(28-19)31-36(33,34)25-13-11-23(12-14-25)30-26(32)22-9-6-10-24(18-22)35-16-15-21-7-4-3-5-8-21/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-phenylethoxy)benzamide?
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(2-phenylethoxy)benzamide has a molecular weight of 502.60 g/mol, XLogP of 4.77, 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]-3-(2-phenylethoxy)benzamide is sourced from PubChem (CID 17134316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).