N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide

C19H19N3O4S2 — CID 55722731

IUPACN-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide
SMILESCOCCNC(=O)CSc1ccccc1C(=O)Nc1nc(-c2ccco2)cs1
InChIInChI=1S/C19H19N3O4S2/c1-25-10-8-20-17(23)12-27-16-7-3-2-5-13(16)18(24)22-19-21-14(11-28-19)15-6-4-9-26-15/h2-7,9,11H,8,10,12H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyJAWDMDDEZBPWFV-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.51
Rot. Bonds9

About N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide

N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide (PubChem CID 55722731) has the molecular formula C19H19N3O4S2 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide
PubChem CID55722731
Molecular FormulaC19H19N3O4S2
Molecular Weight417.51 g/mol
Exact Mass417.08
IUPAC NameN-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide
SMILESCOCCNC(=O)CSc1ccccc1C(=O)Nc1nc(-c2ccco2)cs1
InChIInChI=1S/C19H19N3O4S2/c1-25-10-8-20-17(23)12-27-16-7-3-2-5-13(16)18(24)22-19-21-14(11-28-19)15-6-4-9-26-15/h2-7,9,11H,8,10,12H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyJAWDMDDEZBPWFV-UHFFFAOYSA-N
XLogP3.51
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-iodophenyl)-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide
CID 55342144
2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-(1-phenylethyl)benzamide
CID 55334460
N-(2-amino-2-methylpropyl)-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide;hydrochloride
CID 119627706
[2-(4-methoxyphenyl)-2-oxoethyl] 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate
CID 42986577
N-(2,4-dichlorophenyl)-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide
CID 55335321
N-[4-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 42208452
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate
CID 42590255
5-ethyl-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-phenylpyrazole-4-carboxamide
CID 55722893
2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 17474009
2-(2-chlorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide
CID 112778862
2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 24628673
2-propan-2-yloxyethyl 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate
CID 55356954

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide?
The IUPAC name of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide (CID 55722731) is N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide.
What is the SMILES notation for N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide?
The canonical SMILES for N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide is COCCNC(=O)CSc1ccccc1C(=O)Nc1nc(-c2ccco2)cs1.
What is the InChIKey of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide?
The InChIKey is JAWDMDDEZBPWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S2/c1-25-10-8-20-17(23)12-27-16-7-3-2-5-13(16)18(24)22-19-21-14(11-28-19)15-6-4-9-26-15/h2-7,9,11H,8,10,12H2,1H3,(H,20,23)(H,21,22,24).
What are the key properties of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide?
N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide has a molecular weight of 417.51 g/mol, XLogP of 3.51, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide is sourced from PubChem (CID 55722731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).