N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-(4-chlorophenyl)butanamide

C20H20ClN3O3S — CID 47046898

IUPACN-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-(4-chlorophenyl)butanamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)CCCc3ccc(Cl)cc3)n2)o1
InChIInChI=1S/C20H20ClN3O3S/c1-13(25)22-11-16-9-10-18(27-16)17-12-28-20(23-17)24-19(26)4-2-3-14-5-7-15(21)8-6-14/h5-10,12H,2-4,11H2,1H3,(H,22,25)(H,23,24,26)
InChIKeyJAXFOXWPFMFLKD-UHFFFAOYSA-N
MW417.92 g/mol
LogP4.65
Rot. Bonds8

About N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-(4-chlorophenyl)butanamide

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-(4-chlorophenyl)butanamide (PubChem CID 47046898) has the molecular formula C20H20ClN3O3S and a molecular weight of 417.92 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-(4-chlorophenyl)butanamide.

Molecular Properties

Compound NameN-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-(4-chlorophenyl)butanamide
PubChem CID47046898
Molecular FormulaC20H20ClN3O3S
Molecular Weight417.92 g/mol
Exact Mass417.09
IUPAC NameN-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-(4-chlorophenyl)butanamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)CCCc3ccc(Cl)cc3)n2)o1
InChIInChI=1S/C20H20ClN3O3S/c1-13(25)22-11-16-9-10-18(27-16)17-12-28-20(23-17)24-19(26)4-2-3-14-5-7-15(21)8-6-14/h5-10,12H,2-4,11H2,1H3,(H,22,25)(H,23,24,26)
InChIKeyJAXFOXWPFMFLKD-UHFFFAOYSA-N
XLogP4.65
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.92
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-7-aminoheptanamide
CID 119696335
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide
CID 42377650
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-(4-chloro-2-methylphenoxy)butanamide
CID 24570808
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(methylamino)acetamide
CID 119696349
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methylsulfanylacetamide
CID 51263114
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)propanamide
CID 18127807
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-5-chloro-2-hydroxybenzamide
CID 18127839
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-aminobutanamide;hydrochloride
CID 119696366
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-tert-butylsulfanylacetamide
CID 35889870
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-morpholin-4-yl-4-oxobutanamide
CID 42380720
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(3-fluorophenyl)acetamide
CID 24570721
N-[[5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 31060887

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-(4-chlorophenyl)butanamide?
The IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-(4-chlorophenyl)butanamide (CID 47046898) is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-(4-chlorophenyl)butanamide.
What is the SMILES notation for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-(4-chlorophenyl)butanamide?
The canonical SMILES for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-(4-chlorophenyl)butanamide is CC(=O)NCc1ccc(-c2csc(NC(=O)CCCc3ccc(Cl)cc3)n2)o1.
What is the InChIKey of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-(4-chlorophenyl)butanamide?
The InChIKey is JAXFOXWPFMFLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3S/c1-13(25)22-11-16-9-10-18(27-16)17-12-28-20(23-17)24-19(26)4-2-3-14-5-7-15(21)8-6-14/h5-10,12H,2-4,11H2,1H3,(H,22,25)(H,23,24,26).
What are the key properties of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-(4-chlorophenyl)butanamide?
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-(4-chlorophenyl)butanamide has a molecular weight of 417.92 g/mol, XLogP of 4.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-(4-chlorophenyl)butanamide is sourced from PubChem (CID 47046898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).