3,5-dichloro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide

C17H13Cl2NO2S — CID 24529398

IUPAC3,5-dichloro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(c1cc(Cl)cc(Cl)c1)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C17H13Cl2NO2S/c18-13-7-12(8-14(19)9-13)17(21)20(10-15-3-1-5-22-15)11-16-4-2-6-23-16/h1-9H,10-11H2
InChIKeyGGMGRARRHWAGIR-UHFFFAOYSA-N
MW366.27 g/mol
LogP5.49
Rot. Bonds5

About 3,5-dichloro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide

3,5-dichloro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 24529398) has the molecular formula C17H13Cl2NO2S and a molecular weight of 366.27 g/mol. Its IUPAC name is 3,5-dichloro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
PubChem CID24529398
Molecular FormulaC17H13Cl2NO2S
Molecular Weight366.27 g/mol
Exact Mass365.00
IUPAC Name3,5-dichloro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(c1cc(Cl)cc(Cl)c1)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C17H13Cl2NO2S/c18-13-7-12(8-14(19)9-13)17(21)20(10-15-3-1-5-22-15)11-16-4-2-6-23-16/h1-9H,10-11H2
InChIKeyGGMGRARRHWAGIR-UHFFFAOYSA-N
XLogP5.49
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.27
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 3,5-dichloro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide (CID 24529398) is 3,5-dichloro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 3,5-dichloro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 3,5-dichloro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide is O=C(c1cc(Cl)cc(Cl)c1)N(Cc1ccco1)Cc1cccs1.
What is the InChIKey of 3,5-dichloro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is GGMGRARRHWAGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2NO2S/c18-13-7-12(8-14(19)9-13)17(21)20(10-15-3-1-5-22-15)11-16-4-2-6-23-16/h1-9H,10-11H2.
What are the key properties of 3,5-dichloro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide?
3,5-dichloro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 366.27 g/mol, XLogP of 5.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 24529398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).