N-dibenzofuran-3-yl-N'-dibenzothiophen-3-ylpentanediamide

C29H22N2O3S — CID 71761280

IUPACN-dibenzofuran-3-yl-N'-dibenzothiophen-3-ylpentanediamide
SMILESO=C(CCCC(=O)Nc1ccc2c(c1)sc1ccccc12)Nc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C29H22N2O3S/c32-28(30-18-12-14-21-20-6-1-3-8-24(20)34-25(21)16-18)10-5-11-29(33)31-19-13-15-23-22-7-2-4-9-26(22)35-27(23)17-19/h1-4,6-9,12-17H,5,10-11H2,(H,30,32)(H,31,33)
InChIKeyXMKQDEQEHWFBKN-UHFFFAOYSA-N
MW478.57 g/mol
LogP7.70
Rot. Bonds6

About N-dibenzofuran-3-yl-N'-dibenzothiophen-3-ylpentanediamide

N-dibenzofuran-3-yl-N'-dibenzothiophen-3-ylpentanediamide (PubChem CID 71761280) has the molecular formula C29H22N2O3S and a molecular weight of 478.57 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N'-dibenzothiophen-3-ylpentanediamide.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N'-dibenzothiophen-3-ylpentanediamide
PubChem CID71761280
Molecular FormulaC29H22N2O3S
Molecular Weight478.57 g/mol
Exact Mass478.14
IUPAC NameN-dibenzofuran-3-yl-N'-dibenzothiophen-3-ylpentanediamide
SMILESO=C(CCCC(=O)Nc1ccc2c(c1)sc1ccccc12)Nc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C29H22N2O3S/c32-28(30-18-12-14-21-20-6-1-3-8-24(20)34-25(21)16-18)10-5-11-29(33)31-19-13-15-23-22-7-2-4-9-26(22)35-27(23)17-19/h1-4,6-9,12-17H,5,10-11H2,(H,30,32)(H,31,33)
InChIKeyXMKQDEQEHWFBKN-UHFFFAOYSA-N
XLogP7.70
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.57
LogP ≤ 57.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-dibenzofuran-3-yl-N'-(6,8-diiododibenzofuran-3-yl)pentanediamide
CID 71761184
N-dibenzofuran-3-yl-3-(2-fluorophenyl)propanamide
CID 100553789
N-dibenzofuran-2-yl-4-thiophen-2-ylbutanamide
CID 16552293
1-dibenzofuran-3-yl-3-[3-(dibenzofuran-3-ylcarbamoylamino)phenyl]urea
CID 4639027
(2E)-N-dibenzofuran-3-yl-2-hydroxyiminoacetamide
CID 10999588
N-dibenzofuran-3-yl-2,2-dimethylpropanamide
CID 15495610
N-dibenzofuran-3-yl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 2961461
N-(9-oxothioxanthen-3-yl)acetamide
CID 139971728
1-(3-chlorophenyl)-3-dibenzofuran-3-ylurea
CID 3523584
N-dibenzofuran-3-yl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 55685179
N-dibenzofuran-3-yl-2-(4-propan-2-ylphenoxy)acetamide
CID 3150701
[2-(dibenzofuran-3-ylamino)-2-oxoethyl] N,N-diethylcarbamodithioate
CID 2915941

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N'-dibenzothiophen-3-ylpentanediamide?
The IUPAC name of N-dibenzofuran-3-yl-N'-dibenzothiophen-3-ylpentanediamide (CID 71761280) is N-dibenzofuran-3-yl-N'-dibenzothiophen-3-ylpentanediamide.
What is the SMILES notation for N-dibenzofuran-3-yl-N'-dibenzothiophen-3-ylpentanediamide?
The canonical SMILES for N-dibenzofuran-3-yl-N'-dibenzothiophen-3-ylpentanediamide is O=C(CCCC(=O)Nc1ccc2c(c1)sc1ccccc12)Nc1ccc2c(c1)oc1ccccc12.
What is the InChIKey of N-dibenzofuran-3-yl-N'-dibenzothiophen-3-ylpentanediamide?
The InChIKey is XMKQDEQEHWFBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2O3S/c32-28(30-18-12-14-21-20-6-1-3-8-24(20)34-25(21)16-18)10-5-11-29(33)31-19-13-15-23-22-7-2-4-9-26(22)35-27(23)17-19/h1-4,6-9,12-17H,5,10-11H2,(H,30,32)(H,31,33).
What are the key properties of N-dibenzofuran-3-yl-N'-dibenzothiophen-3-ylpentanediamide?
N-dibenzofuran-3-yl-N'-dibenzothiophen-3-ylpentanediamide has a molecular weight of 478.57 g/mol, XLogP of 7.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-N'-dibenzothiophen-3-ylpentanediamide is sourced from PubChem (CID 71761280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).