N'-(2-ethylphenyl)-N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide

C22H24N4O4S — CID 3205705

IUPACN'-(2-ethylphenyl)-N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide
SMILESCCc1ccccc1N(CC(=O)NCc1ccco1)C(=O)CCC(=O)Nc1nccs1
InChIInChI=1S/C22H24N4O4S/c1-2-16-6-3-4-8-18(16)26(15-20(28)24-14-17-7-5-12-30-17)21(29)10-9-19(27)25-22-23-11-13-31-22/h3-8,11-13H,2,9-10,14-15H2,1H3,(H,24,28)(H,23,25,27)
InChIKeyVYRHVXHOLMGPBJ-UHFFFAOYSA-N
MW440.53 g/mol
LogP3.37
Rot. Bonds10

About N'-(2-ethylphenyl)-N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide

N'-(2-ethylphenyl)-N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide (PubChem CID 3205705) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is N'-(2-ethylphenyl)-N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide.

Molecular Properties

Compound NameN'-(2-ethylphenyl)-N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide
PubChem CID3205705
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC NameN'-(2-ethylphenyl)-N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide
SMILESCCc1ccccc1N(CC(=O)NCc1ccco1)C(=O)CCC(=O)Nc1nccs1
InChIInChI=1S/C22H24N4O4S/c1-2-16-6-3-4-8-18(16)26(15-20(28)24-14-17-7-5-12-30-17)21(29)10-9-19(27)25-22-23-11-13-31-22/h3-8,11-13H,2,9-10,14-15H2,1H3,(H,24,28)(H,23,25,27)
InChIKeyVYRHVXHOLMGPBJ-UHFFFAOYSA-N
XLogP3.37
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-(2-ethylphenyl)-N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide?
The IUPAC name of N'-(2-ethylphenyl)-N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide (CID 3205705) is N'-(2-ethylphenyl)-N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide.
What is the SMILES notation for N'-(2-ethylphenyl)-N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide?
The canonical SMILES for N'-(2-ethylphenyl)-N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide is CCc1ccccc1N(CC(=O)NCc1ccco1)C(=O)CCC(=O)Nc1nccs1.
What is the InChIKey of N'-(2-ethylphenyl)-N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide?
The InChIKey is VYRHVXHOLMGPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c1-2-16-6-3-4-8-18(16)26(15-20(28)24-14-17-7-5-12-30-17)21(29)10-9-19(27)25-22-23-11-13-31-22/h3-8,11-13H,2,9-10,14-15H2,1H3,(H,24,28)(H,23,25,27).
What are the key properties of N'-(2-ethylphenyl)-N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide?
N'-(2-ethylphenyl)-N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide has a molecular weight of 440.53 g/mol, XLogP of 3.37, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethylphenyl)-N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide is sourced from PubChem (CID 3205705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).