N-(furan-2-ylmethyl)-2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]benzamide

C19H19N3O4S — CID 34653312

IUPACN-(furan-2-ylmethyl)-2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]benzamide
SMILESCc1csc(=O)n1CCC(=O)Nc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C19H19N3O4S/c1-13-12-27-19(25)22(13)9-8-17(23)21-16-7-3-2-6-15(16)18(24)20-11-14-5-4-10-26-14/h2-7,10,12H,8-9,11H2,1H3,(H,20,24)(H,21,23)
InChIKeyUIHWMVPUPOQARZ-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.77
Rot. Bonds7

About N-(furan-2-ylmethyl)-2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]benzamide

N-(furan-2-ylmethyl)-2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]benzamide (PubChem CID 34653312) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]benzamide
PubChem CID34653312
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN-(furan-2-ylmethyl)-2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]benzamide
SMILESCc1csc(=O)n1CCC(=O)Nc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C19H19N3O4S/c1-13-12-27-19(25)22(13)9-8-17(23)21-16-7-3-2-6-15(16)18(24)20-11-14-5-4-10-26-14/h2-7,10,12H,8-9,11H2,1H3,(H,20,24)(H,21,23)
InChIKeyUIHWMVPUPOQARZ-UHFFFAOYSA-N
XLogP2.77
TPSA93.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]-N-prop-2-enylbenzamide
CID 38079822
N,N'-bis[2-(furan-2-ylmethylcarbamoyl)phenyl]hexanediamide
CID 4938791
N-(furan-2-ylmethyl)-2-[[2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 8772778
N-(furan-2-ylmethyl)-2-(heptanoylamino)benzamide
CID 36859009
N-(furan-2-ylmethyl)-2-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzamide
CID 24563044
N-(furan-2-ylmethyl)-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzamide
CID 35859606
2-[(2-bromoacetyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 112547104
2-methoxyethyl 4-[2-(furan-2-ylmethylcarbamoyl)anilino]-4-oxobutanoate
CID 17339123
2-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoylamino]-N-(furan-2-ylmethyl)benzamide
CID 55466374
N-(furan-2-ylmethyl)-2-[[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]benzamide
CID 34651174
2-(3-cyclopentylpropanoylamino)-N-(furan-2-ylmethyl)benzamide
CID 16576953
N-(furan-2-ylmethyl)-2-[3-(2-methoxyphenyl)propanoylamino]benzamide
CID 51283919

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]benzamide (CID 34653312) is N-(furan-2-ylmethyl)-2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]benzamide is Cc1csc(=O)n1CCC(=O)Nc1ccccc1C(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]benzamide?
The InChIKey is UIHWMVPUPOQARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-13-12-27-19(25)22(13)9-8-17(23)21-16-7-3-2-6-15(16)18(24)20-11-14-5-4-10-26-14/h2-7,10,12H,8-9,11H2,1H3,(H,20,24)(H,21,23).
What are the key properties of N-(furan-2-ylmethyl)-2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]benzamide?
N-(furan-2-ylmethyl)-2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]benzamide has a molecular weight of 385.45 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]benzamide is sourced from PubChem (CID 34653312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).