N-benzyl-N-(furan-2-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide

C23H20N2O3S — CID 34907467

IUPACN-benzyl-N-(furan-2-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESO=C(c1ccc(OCc2cscn2)cc1)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C23H20N2O3S/c26-23(19-8-10-21(11-9-19)28-15-20-16-29-17-24-20)25(14-22-7-4-12-27-22)13-18-5-2-1-3-6-18/h1-12,16-17H,13-15H2
InChIKeyAIJPZLAQXAIPHR-UHFFFAOYSA-N
MW404.49 g/mol
LogP5.16
Rot. Bonds8

About N-benzyl-N-(furan-2-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide

N-benzyl-N-(furan-2-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 34907467) has the molecular formula C23H20N2O3S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-benzyl-N-(furan-2-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-benzyl-N-(furan-2-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID34907467
Molecular FormulaC23H20N2O3S
Molecular Weight404.49 g/mol
Exact Mass404.12
IUPAC NameN-benzyl-N-(furan-2-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESO=C(c1ccc(OCc2cscn2)cc1)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C23H20N2O3S/c26-23(19-8-10-21(11-9-19)28-15-20-16-29-17-24-20)25(14-22-7-4-12-27-22)13-18-5-2-1-3-6-18/h1-12,16-17H,13-15H2
InChIKeyAIJPZLAQXAIPHR-UHFFFAOYSA-N
XLogP5.16
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.49
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-4-cyano-N-(furan-2-ylmethyl)benzamide
CID 37429743
N-benzyl-N-(furan-2-ylmethyl)-6-methoxypyridine-3-carboxamide
CID 34907486
N-benzyl-4-tert-butyl-N-(furan-2-ylmethyl)benzamide
CID 4518197
benzyl 4-(1,3-thiazol-4-ylmethoxy)benzoate
CID 86907808
N,N-dipropyl-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 134022298
N-benzyl-N-(furan-2-ylmethyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 37428292
4-butoxy-N-(furan-2-ylmethyl)-N-(2-phenylethyl)benzamide
CID 42773272
N-(furan-2-ylmethyl)-N-[[4-(4-methoxyphenyl)phenyl]methyl]benzamide
CID 59260608
N-benzyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(furan-2-ylmethyl)benzamide
CID 37429508
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butoxy-N-prop-2-enylbenzamide
CID 5136606
N-(furan-2-ylmethyl)-N-methyl-4-(phenoxymethyl)benzamide
CID 112761039
N-(furan-2-ylmethyl)-N-[(3-phenoxyphenyl)methyl]benzamide
CID 42705565

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(furan-2-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-benzyl-N-(furan-2-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide (CID 34907467) is N-benzyl-N-(furan-2-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-benzyl-N-(furan-2-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-benzyl-N-(furan-2-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide is O=C(c1ccc(OCc2cscn2)cc1)N(Cc1ccccc1)Cc1ccco1.
What is the InChIKey of N-benzyl-N-(furan-2-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is AIJPZLAQXAIPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3S/c26-23(19-8-10-21(11-9-19)28-15-20-16-29-17-24-20)25(14-22-7-4-12-27-22)13-18-5-2-1-3-6-18/h1-12,16-17H,13-15H2.
What are the key properties of N-benzyl-N-(furan-2-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide?
N-benzyl-N-(furan-2-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 404.49 g/mol, XLogP of 5.16, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(furan-2-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 34907467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).