N-(furan-2-ylmethyl)-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

C22H18N2O3S — CID 1139478

IUPACN-(furan-2-ylmethyl)-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESO=C(COc1ccccc1)N(Cc1ccco1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C22H18N2O3S/c25-21(15-27-18-10-5-2-6-11-18)24(14-19-12-7-13-26-19)22-23-20(16-28-22)17-8-3-1-4-9-17/h1-13,16H,14-15H2
InChIKeySXXAOCBTBIQEHS-UHFFFAOYSA-N
MW390.46 g/mol
LogP5.02
Rot. Bonds7

About N-(furan-2-ylmethyl)-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

N-(furan-2-ylmethyl)-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 1139478) has the molecular formula C22H18N2O3S and a molecular weight of 390.46 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID1139478
Molecular FormulaC22H18N2O3S
Molecular Weight390.46 g/mol
Exact Mass390.10
IUPAC NameN-(furan-2-ylmethyl)-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESO=C(COc1ccccc1)N(Cc1ccco1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C22H18N2O3S/c25-21(15-27-18-10-5-2-6-11-18)24(14-19-12-7-13-26-19)22-23-20(16-28-22)17-8-3-1-4-9-17/h1-13,16H,14-15H2
InChIKeySXXAOCBTBIQEHS-UHFFFAOYSA-N
XLogP5.02
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.46
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 1139483
N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1139482
N-(furan-2-ylmethyl)-2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1139470
3-chloro-N-(furan-2-ylmethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 3189715
N-[3-(dimethylamino)propyl]-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 3173561
3-chloro-N-(furan-2-ylmethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
CID 3189594
3-fluoro-N-(furan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1374209
N-[3-(dimethylamino)propyl]-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 171667861
3-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)propanamide
CID 3189701
N-ethyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 1172644
N-(furan-2-ylmethyl)-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 1374213
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 1176022

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 1139478) is N-(furan-2-ylmethyl)-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is O=C(COc1ccccc1)N(Cc1ccco1)c1nc(-c2ccccc2)cs1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is SXXAOCBTBIQEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3S/c25-21(15-27-18-10-5-2-6-11-18)24(14-19-12-7-13-26-19)22-23-20(16-28-22)17-8-3-1-4-9-17/h1-13,16H,14-15H2.
What are the key properties of N-(furan-2-ylmethyl)-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
N-(furan-2-ylmethyl)-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 390.46 g/mol, XLogP of 5.02, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 1139478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).