2-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide

C22H26N4O4S — CID 5025260

IUPAC2-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCCc1ccccc1NC(=O)N(CCOC)Cc1nc(C(=O)NCc2ccco2)cs1
InChIInChI=1S/C22H26N4O4S/c1-3-16-7-4-5-9-18(16)25-22(28)26(10-12-29-2)14-20-24-19(15-31-20)21(27)23-13-17-8-6-11-30-17/h4-9,11,15H,3,10,12-14H2,1-2H3,(H,23,27)(H,25,28)
InChIKeyPEMCLIQLLCQHLH-UHFFFAOYSA-N
MW442.54 g/mol
LogP3.91
Rot. Bonds10

About 2-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide

2-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 5025260) has the molecular formula C22H26N4O4S and a molecular weight of 442.54 g/mol. Its IUPAC name is 2-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID5025260
Molecular FormulaC22H26N4O4S
Molecular Weight442.54 g/mol
Exact Mass442.17
IUPAC Name2-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCCc1ccccc1NC(=O)N(CCOC)Cc1nc(C(=O)NCc2ccco2)cs1
InChIInChI=1S/C22H26N4O4S/c1-3-16-7-4-5-9-18(16)25-22(28)26(10-12-29-2)14-20-24-19(15-31-20)21(27)23-13-17-8-6-11-30-17/h4-9,11,15H,3,10,12-14H2,1-2H3,(H,23,27)(H,25,28)
InChIKeyPEMCLIQLLCQHLH-UHFFFAOYSA-N
XLogP3.91
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[(2-fluorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 3417949
N-(furan-2-ylmethyl)-2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 4679622
2-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 3908248
N-tert-butyl-2-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxamide
CID 3300880
2-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 42769572
2-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(2-piperidin-1-ylethyl)-1,3-thiazole-4-carboxamide
CID 3895341
N-[2-(2,4-dichlorophenyl)ethyl]-2-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxamide
CID 4213496
2-[[decanoyl(furan-2-ylmethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 3956928
N-benzyl-2-[[(4-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxamide
CID 5233943
3-(2-ethylphenyl)-1-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]urea
CID 42773322
2-[[(4-tert-butylbenzoyl)-(furan-2-ylmethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 1196035
2-[[(2-fluorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(2-piperidin-1-ylethyl)-1,3-thiazole-4-carboxamide
CID 4308382

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide (CID 5025260) is 2-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide is CCc1ccccc1NC(=O)N(CCOC)Cc1nc(C(=O)NCc2ccco2)cs1.
What is the InChIKey of 2-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is PEMCLIQLLCQHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4S/c1-3-16-7-4-5-9-18(16)25-22(28)26(10-12-29-2)14-20-24-19(15-31-20)21(27)23-13-17-8-6-11-30-17/h4-9,11,15H,3,10,12-14H2,1-2H3,(H,23,27)(H,25,28).
What are the key properties of 2-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
2-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 442.54 g/mol, XLogP of 3.91, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 5025260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).