N-(4-propan-2-ylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzamide

C28H27NO4S — CID 11842186

IUPACN-(4-propan-2-ylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzamide
SMILESCC(C)c1ccc(S(=O)(=O)N(C(=O)c2ccccc2)c2ccc3oc4c(c3c2)CCCC4)cc1
InChIInChI=1S/C28H27NO4S/c1-19(2)20-12-15-23(16-13-20)34(31,32)29(28(30)21-8-4-3-5-9-21)22-14-17-27-25(18-22)24-10-6-7-11-26(24)33-27/h3-5,8-9,12-19H,6-7,10-11H2,1-2H3
InChIKeyHYPUHPFKMUFBAK-UHFFFAOYSA-N
MW473.59 g/mol
LogP6.47
Rot. Bonds5

About N-(4-propan-2-ylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzamide

N-(4-propan-2-ylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzamide (PubChem CID 11842186) has the molecular formula C28H27NO4S and a molecular weight of 473.59 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzamide.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzamide
PubChem CID11842186
Molecular FormulaC28H27NO4S
Molecular Weight473.59 g/mol
Exact Mass473.17
IUPAC NameN-(4-propan-2-ylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzamide
SMILESCC(C)c1ccc(S(=O)(=O)N(C(=O)c2ccccc2)c2ccc3oc4c(c3c2)CCCC4)cc1
InChIInChI=1S/C28H27NO4S/c1-19(2)20-12-15-23(16-13-20)34(31,32)29(28(30)21-8-4-3-5-9-21)22-14-17-27-25(18-22)24-10-6-7-11-26(24)33-27/h3-5,8-9,12-19H,6-7,10-11H2,1-2H3
InChIKeyHYPUHPFKMUFBAK-UHFFFAOYSA-N
XLogP6.47
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.59
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-nitro-N-(4-propan-2-ylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzamide
CID 23880591
N-(4-chlorophenyl)sulfonyl-4-nitro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzamide
CID 23746358
4-chloro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-N-(2,4,5-trimethylphenyl)sulfonylbenzamide
CID 23945504
N-(3-nitrophenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)pyridine-4-carboxamide
CID 2940303
N-(4-chloro-3-methylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide
CID 23767080
N-methoxy-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzamide
CID 90892975
4-nitro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-N-(2,4,5-trimethylphenyl)sulfonylbenzamide
CID 23829125
N-(4-bromophenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)cyclohexanecarboxamide
CID 4520906
N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-N-(2,4,6-trimethylphenyl)sulfonylacetamide
CID 7315351
N-(2,4-dimethylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide
CID 1260133
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(benzenesulfonyl)-4-chlorobenzamide
CID 6618120
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(2,4,5-trimethylphenyl)sulfonylbenzamide
CID 11842190

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzamide?
The IUPAC name of N-(4-propan-2-ylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzamide (CID 11842186) is N-(4-propan-2-ylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzamide.
What is the SMILES notation for N-(4-propan-2-ylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzamide?
The canonical SMILES for N-(4-propan-2-ylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzamide is CC(C)c1ccc(S(=O)(=O)N(C(=O)c2ccccc2)c2ccc3oc4c(c3c2)CCCC4)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzamide?
The InChIKey is HYPUHPFKMUFBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NO4S/c1-19(2)20-12-15-23(16-13-20)34(31,32)29(28(30)21-8-4-3-5-9-21)22-14-17-27-25(18-22)24-10-6-7-11-26(24)33-27/h3-5,8-9,12-19H,6-7,10-11H2,1-2H3.
What are the key properties of N-(4-propan-2-ylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzamide?
N-(4-propan-2-ylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzamide has a molecular weight of 473.59 g/mol, XLogP of 6.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzamide is sourced from PubChem (CID 11842186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).