N-(4-ethylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide

C22H23NO4S — CID 992465

IUPACN-(4-ethylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide
SMILESCCc1ccc(S(=O)(=O)N(C(C)=O)c2ccc3oc4c(c3c2)CCCC4)cc1
InChIInChI=1S/C22H23NO4S/c1-3-16-8-11-18(12-9-16)28(25,26)23(15(2)24)17-10-13-22-20(14-17)19-6-4-5-7-21(19)27-22/h8-14H,3-7H2,1-2H3
InChIKeyYYGFISOISPVVBO-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.62
Rot. Bonds4

About N-(4-ethylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide

N-(4-ethylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide (PubChem CID 992465) has the molecular formula C22H23NO4S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-(4-ethylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide
PubChem CID992465
Molecular FormulaC22H23NO4S
Molecular Weight397.50 g/mol
Exact Mass397.13
IUPAC NameN-(4-ethylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide
SMILESCCc1ccc(S(=O)(=O)N(C(C)=O)c2ccc3oc4c(c3c2)CCCC4)cc1
InChIInChI=1S/C22H23NO4S/c1-3-16-8-11-18(12-9-16)28(25,26)23(15(2)24)17-10-13-22-20(14-17)19-6-4-5-7-21(19)27-22/h8-14H,3-7H2,1-2H3
InChIKeyYYGFISOISPVVBO-UHFFFAOYSA-N
XLogP4.62
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide?
The IUPAC name of N-(4-ethylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide (CID 992465) is N-(4-ethylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide.
What is the SMILES notation for N-(4-ethylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide?
The canonical SMILES for N-(4-ethylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide is CCc1ccc(S(=O)(=O)N(C(C)=O)c2ccc3oc4c(c3c2)CCCC4)cc1.
What is the InChIKey of N-(4-ethylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide?
The InChIKey is YYGFISOISPVVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4S/c1-3-16-8-11-18(12-9-16)28(25,26)23(15(2)24)17-10-13-22-20(14-17)19-6-4-5-7-21(19)27-22/h8-14H,3-7H2,1-2H3.
What are the key properties of N-(4-ethylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide?
N-(4-ethylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide has a molecular weight of 397.50 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide is sourced from PubChem (CID 992465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).