N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-(4-propan-2-ylphenyl)-N-(1,3-thiazol-2-yl)butanediamide

C23H26N4O4S — CID 3205712

IUPACN'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-(4-propan-2-ylphenyl)-N-(1,3-thiazol-2-yl)butanediamide
SMILESCC(C)c1ccc(N(CC(=O)NCc2ccco2)C(=O)CCC(=O)Nc2nccs2)cc1
InChIInChI=1S/C23H26N4O4S/c1-16(2)17-5-7-18(8-6-17)27(15-21(29)25-14-19-4-3-12-31-19)22(30)10-9-20(28)26-23-24-11-13-32-23/h3-8,11-13,16H,9-10,14-15H2,1-2H3,(H,25,29)(H,24,26,28)
InChIKeyKNXFJYKEVKXFLS-UHFFFAOYSA-N
MW454.55 g/mol
LogP3.93
Rot. Bonds10

About N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-(4-propan-2-ylphenyl)-N-(1,3-thiazol-2-yl)butanediamide

N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-(4-propan-2-ylphenyl)-N-(1,3-thiazol-2-yl)butanediamide (PubChem CID 3205712) has the molecular formula C23H26N4O4S and a molecular weight of 454.55 g/mol. Its IUPAC name is N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-(4-propan-2-ylphenyl)-N-(1,3-thiazol-2-yl)butanediamide.

Molecular Properties

Compound NameN'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-(4-propan-2-ylphenyl)-N-(1,3-thiazol-2-yl)butanediamide
PubChem CID3205712
Molecular FormulaC23H26N4O4S
Molecular Weight454.55 g/mol
Exact Mass454.17
IUPAC NameN'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-(4-propan-2-ylphenyl)-N-(1,3-thiazol-2-yl)butanediamide
SMILESCC(C)c1ccc(N(CC(=O)NCc2ccco2)C(=O)CCC(=O)Nc2nccs2)cc1
InChIInChI=1S/C23H26N4O4S/c1-16(2)17-5-7-18(8-6-17)27(15-21(29)25-14-19-4-3-12-31-19)22(30)10-9-20(28)26-23-24-11-13-32-23/h3-8,11-13,16H,9-10,14-15H2,1-2H3,(H,25,29)(H,24,26,28)
InChIKeyKNXFJYKEVKXFLS-UHFFFAOYSA-N
XLogP3.93
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-(4-propan-2-ylphenyl)-N-(1,3-thiazol-2-yl)butanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,4-dimethylphenyl)-2-({1-[(furan-2-yl)methyl]-1H-imidazol-2-yl}sulfanyl)acetamide
CID 24891927
N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 746004
N-(3-{2-[(Furan-2-ylmethyl)-amino]-thiazol-4-yl}-phenyl)-acetamide
CID 647705
2-p-Tolylamino-thiazole-4-carboxylic acid (furan-2-ylmethyl)-amide
CID 649469
N-{[(Furan-2-ylmethyl)-carbamoyl]-methyl}-N-(4-methoxy-benzyl)-N'-thiazol-2-yl-succinamide
CID 651341
N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 652401
2-{5-[(2,4-Dimethyl-phenylamino)-methyl]-4-furan-2-ylmethyl-4H-[1,2,4]triazol-3-ylsulfanyl}-N-(5-methyl-thiazol-2-yl)-acetamide
CID 654810
N-[(4-Fluoro-phenyl)-(2-methoxy-ethylcarbamoyl)-methyl]-N-furan-2-ylmethyl-N'-thiazol-2-yl-succinamide
CID 656031
N-(4-{2-[(Furan-2-ylmethyl)-amino]-thiazol-4-yl}-phenyl)-acetamide
CID 972496
N-{[(Furan-2-ylmethyl)-carbamoyl]-methyl}-N-(4-isopropyl-phenyl)-N'-pyridin-2-yl-succinamide
CID 3205223
N-(tert-Butylcarbamoyl-methyl)-N-furan-2-ylmethyl-N'-thiazol-2-yl-succinamide
CID 3205533
N-[(1,1-Dimethyl-propylcarbamoyl)-methyl]-N-furan-2-ylmethyl-N'-thiazol-2-yl-succinamide
CID 3205580

Frequently Asked Questions

What is the IUPAC name of N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-(4-propan-2-ylphenyl)-N-(1,3-thiazol-2-yl)butanediamide?
The IUPAC name of N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-(4-propan-2-ylphenyl)-N-(1,3-thiazol-2-yl)butanediamide (CID 3205712) is N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-(4-propan-2-ylphenyl)-N-(1,3-thiazol-2-yl)butanediamide.
What is the SMILES notation for N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-(4-propan-2-ylphenyl)-N-(1,3-thiazol-2-yl)butanediamide?
The canonical SMILES for N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-(4-propan-2-ylphenyl)-N-(1,3-thiazol-2-yl)butanediamide is CC(C)c1ccc(N(CC(=O)NCc2ccco2)C(=O)CCC(=O)Nc2nccs2)cc1.
What is the InChIKey of N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-(4-propan-2-ylphenyl)-N-(1,3-thiazol-2-yl)butanediamide?
The InChIKey is KNXFJYKEVKXFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4S/c1-16(2)17-5-7-18(8-6-17)27(15-21(29)25-14-19-4-3-12-31-19)22(30)10-9-20(28)26-23-24-11-13-32-23/h3-8,11-13,16H,9-10,14-15H2,1-2H3,(H,25,29)(H,24,26,28).
What are the key properties of N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-(4-propan-2-ylphenyl)-N-(1,3-thiazol-2-yl)butanediamide?
N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-(4-propan-2-ylphenyl)-N-(1,3-thiazol-2-yl)butanediamide has a molecular weight of 454.55 g/mol, XLogP of 3.93, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-(4-propan-2-ylphenyl)-N-(1,3-thiazol-2-yl)butanediamide is sourced from PubChem (CID 3205712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).