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

C24H21N3O4S — CID 24570707

IUPACN-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-phenylmethoxybenzamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)c3cccc(OCc4ccccc4)c3)n2)o1
InChIInChI=1S/C24H21N3O4S/c1-16(28)25-13-20-10-11-22(31-20)21-15-32-24(26-21)27-23(29)18-8-5-9-19(12-18)30-14-17-6-3-2-4-7-17/h2-12,15H,13-14H2,1H3,(H,25,28)(H,26,27,29)
InChIKeyYOMDIJQDRZLYKJ-UHFFFAOYSA-N
MW447.52 g/mol
LogP4.87
Rot. Bonds8

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

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-phenylmethoxybenzamide (PubChem CID 24570707) has the molecular formula C24H21N3O4S and a molecular weight of 447.52 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-phenylmethoxybenzamide
PubChem CID24570707
Molecular FormulaC24H21N3O4S
Molecular Weight447.52 g/mol
Exact Mass447.13
IUPAC NameN-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-phenylmethoxybenzamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)c3cccc(OCc4ccccc4)c3)n2)o1
InChIInChI=1S/C24H21N3O4S/c1-16(28)25-13-20-10-11-22(31-20)21-15-32-24(26-21)27-23(29)18-8-5-9-19(12-18)30-14-17-6-3-2-4-7-17/h2-12,15H,13-14H2,1H3,(H,25,28)(H,26,27,29)
InChIKeyYOMDIJQDRZLYKJ-UHFFFAOYSA-N
XLogP4.87
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-phenoxybenzamide
CID 24570801
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 55576425
tert-butyl N-[3-[[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]carbamoyl]phenyl]carbamate
CID 42379322
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 51263111
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 42378438
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-ethoxy-4-methoxybenzamide
CID 42378203
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 17398403
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-6-methoxypyridine-3-carboxamide
CID 17406432
N-[[5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 31060887
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(3-fluorophenyl)acetamide
CID 24570721
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 43036587
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27287507

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-phenylmethoxybenzamide?
The IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-phenylmethoxybenzamide (CID 24570707) is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-phenylmethoxybenzamide.
What is the SMILES notation for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-phenylmethoxybenzamide?
The canonical SMILES for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-phenylmethoxybenzamide is CC(=O)NCc1ccc(-c2csc(NC(=O)c3cccc(OCc4ccccc4)c3)n2)o1.
What is the InChIKey of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-phenylmethoxybenzamide?
The InChIKey is YOMDIJQDRZLYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4S/c1-16(28)25-13-20-10-11-22(31-20)21-15-32-24(26-21)27-23(29)18-8-5-9-19(12-18)30-14-17-6-3-2-4-7-17/h2-12,15H,13-14H2,1H3,(H,25,28)(H,26,27,29).
What are the key properties of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-phenylmethoxybenzamide?
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-phenylmethoxybenzamide has a molecular weight of 447.52 g/mol, XLogP of 4.87, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-phenylmethoxybenzamide is sourced from PubChem (CID 24570707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).