N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2-(3-methoxythiophen-2-yl)acetamide

C21H24N2O3S — CID 21221743

IUPACN-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2-(3-methoxythiophen-2-yl)acetamide
SMILESCOc1ccsc1CC(=O)Nc1ccc2oc3c(c2c1)CC(N(C)C)CC3
InChIInChI=1S/C21H24N2O3S/c1-23(2)14-5-7-18-16(11-14)15-10-13(4-6-17(15)26-18)22-21(24)12-20-19(25-3)8-9-27-20/h4,6,8-10,14H,5,7,11-12H2,1-3H3,(H,22,24)
InChIKeyDMLTWSQZGAOYLJ-UHFFFAOYSA-N
MW384.50 g/mol
LogP4.10
Rot. Bonds5

About N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2-(3-methoxythiophen-2-yl)acetamide

N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2-(3-methoxythiophen-2-yl)acetamide (PubChem CID 21221743) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2-(3-methoxythiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2-(3-methoxythiophen-2-yl)acetamide
PubChem CID21221743
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC NameN-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2-(3-methoxythiophen-2-yl)acetamide
SMILESCOc1ccsc1CC(=O)Nc1ccc2oc3c(c2c1)CC(N(C)C)CC3
InChIInChI=1S/C21H24N2O3S/c1-23(2)14-5-7-18-16(11-14)15-10-13(4-6-17(15)26-18)22-21(24)12-20-19(25-3)8-9-27-20/h4,6,8-10,14H,5,7,11-12H2,1-3H3,(H,22,24)
InChIKeyDMLTWSQZGAOYLJ-UHFFFAOYSA-N
XLogP4.10
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2-(3-methoxythiophen-2-yl)acetamide?
The IUPAC name of N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2-(3-methoxythiophen-2-yl)acetamide (CID 21221743) is N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2-(3-methoxythiophen-2-yl)acetamide.
What is the SMILES notation for N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2-(3-methoxythiophen-2-yl)acetamide?
The canonical SMILES for N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2-(3-methoxythiophen-2-yl)acetamide is COc1ccsc1CC(=O)Nc1ccc2oc3c(c2c1)CC(N(C)C)CC3.
What is the InChIKey of N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2-(3-methoxythiophen-2-yl)acetamide?
The InChIKey is DMLTWSQZGAOYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-23(2)14-5-7-18-16(11-14)15-10-13(4-6-17(15)26-18)22-21(24)12-20-19(25-3)8-9-27-20/h4,6,8-10,14H,5,7,11-12H2,1-3H3,(H,22,24).
What are the key properties of N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2-(3-methoxythiophen-2-yl)acetamide?
N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2-(3-methoxythiophen-2-yl)acetamide has a molecular weight of 384.50 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2-(3-methoxythiophen-2-yl)acetamide is sourced from PubChem (CID 21221743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).