2-[2-(4-chlorophenyl)-5-(furan-2-carbonyl)thiophen-3-yl]-N-[2-(dimethylamino)ethyl]acetamide

C21H21ClN2O3S — CID 73051637

IUPAC2-[2-(4-chlorophenyl)-5-(furan-2-carbonyl)thiophen-3-yl]-N-[2-(dimethylamino)ethyl]acetamide
SMILESCN(C)CCNC(=O)Cc1cc(C(=O)c2ccco2)sc1-c1ccc(Cl)cc1
InChIInChI=1S/C21H21ClN2O3S/c1-24(2)10-9-23-19(25)13-15-12-18(20(26)17-4-3-11-27-17)28-21(15)14-5-7-16(22)8-6-14/h3-8,11-12H,9-10,13H2,1-2H3,(H,23,25)
InChIKeyNQZOLGXENJDMSP-UHFFFAOYSA-N
MW416.93 g/mol
LogP4.11
Rot. Bonds8

About 2-[2-(4-chlorophenyl)-5-(furan-2-carbonyl)thiophen-3-yl]-N-[2-(dimethylamino)ethyl]acetamide

2-[2-(4-chlorophenyl)-5-(furan-2-carbonyl)thiophen-3-yl]-N-[2-(dimethylamino)ethyl]acetamide (PubChem CID 73051637) has the molecular formula C21H21ClN2O3S and a molecular weight of 416.93 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-5-(furan-2-carbonyl)thiophen-3-yl]-N-[2-(dimethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-5-(furan-2-carbonyl)thiophen-3-yl]-N-[2-(dimethylamino)ethyl]acetamide
PubChem CID73051637
Molecular FormulaC21H21ClN2O3S
Molecular Weight416.93 g/mol
Exact Mass416.10
IUPAC Name2-[2-(4-chlorophenyl)-5-(furan-2-carbonyl)thiophen-3-yl]-N-[2-(dimethylamino)ethyl]acetamide
SMILESCN(C)CCNC(=O)Cc1cc(C(=O)c2ccco2)sc1-c1ccc(Cl)cc1
InChIInChI=1S/C21H21ClN2O3S/c1-24(2)10-9-23-19(25)13-15-12-18(20(26)17-4-3-11-27-17)28-21(15)14-5-7-16(22)8-6-14/h3-8,11-12H,9-10,13H2,1-2H3,(H,23,25)
InChIKeyNQZOLGXENJDMSP-UHFFFAOYSA-N
XLogP4.11
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.93
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-5-(furan-2-carbonyl)thiophen-3-yl]-N-[2-(dimethylamino)ethyl]acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-5-(furan-2-carbonyl)thiophen-3-yl]-N-[2-(dimethylamino)ethyl]acetamide (CID 73051637) is 2-[2-(4-chlorophenyl)-5-(furan-2-carbonyl)thiophen-3-yl]-N-[2-(dimethylamino)ethyl]acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-5-(furan-2-carbonyl)thiophen-3-yl]-N-[2-(dimethylamino)ethyl]acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-5-(furan-2-carbonyl)thiophen-3-yl]-N-[2-(dimethylamino)ethyl]acetamide is CN(C)CCNC(=O)Cc1cc(C(=O)c2ccco2)sc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-5-(furan-2-carbonyl)thiophen-3-yl]-N-[2-(dimethylamino)ethyl]acetamide?
The InChIKey is NQZOLGXENJDMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O3S/c1-24(2)10-9-23-19(25)13-15-12-18(20(26)17-4-3-11-27-17)28-21(15)14-5-7-16(22)8-6-14/h3-8,11-12H,9-10,13H2,1-2H3,(H,23,25).
What are the key properties of 2-[2-(4-chlorophenyl)-5-(furan-2-carbonyl)thiophen-3-yl]-N-[2-(dimethylamino)ethyl]acetamide?
2-[2-(4-chlorophenyl)-5-(furan-2-carbonyl)thiophen-3-yl]-N-[2-(dimethylamino)ethyl]acetamide has a molecular weight of 416.93 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-5-(furan-2-carbonyl)thiophen-3-yl]-N-[2-(dimethylamino)ethyl]acetamide is sourced from PubChem (CID 73051637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).