N'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(thiophen-2-ylmethyl)butanediamide

C26H30N4O4S — CID 3210705

IUPACN'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(thiophen-2-ylmethyl)butanediamide
SMILESCc1cc(NC(=O)CCC(=O)N(Cc2cccs2)C(C(=O)NC2CCCC2)c2ccccc2)no1
InChIInChI=1S/C26H30N4O4S/c1-18-16-22(29-34-18)28-23(31)13-14-24(32)30(17-21-12-7-15-35-21)25(19-8-3-2-4-9-19)26(33)27-20-10-5-6-11-20/h2-4,7-9,12,15-16,20,25H,5-6,10-11,13-14,17H2,1H3,(H,27,33)(H,28,29,31)
InChIKeyPOZPNDPDKFMYES-UHFFFAOYSA-N
MW494.62 g/mol
LogP4.59
Rot. Bonds10

About N'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(thiophen-2-ylmethyl)butanediamide

N'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(thiophen-2-ylmethyl)butanediamide (PubChem CID 3210705) has the molecular formula C26H30N4O4S and a molecular weight of 494.62 g/mol. Its IUPAC name is N'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(thiophen-2-ylmethyl)butanediamide.

Molecular Properties

Compound NameN'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(thiophen-2-ylmethyl)butanediamide
PubChem CID3210705
Molecular FormulaC26H30N4O4S
Molecular Weight494.62 g/mol
Exact Mass494.20
IUPAC NameN'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(thiophen-2-ylmethyl)butanediamide
SMILESCc1cc(NC(=O)CCC(=O)N(Cc2cccs2)C(C(=O)NC2CCCC2)c2ccccc2)no1
InChIInChI=1S/C26H30N4O4S/c1-18-16-22(29-34-18)28-23(31)13-14-24(32)30(17-21-12-7-15-35-21)25(19-8-3-2-4-9-19)26(33)27-20-10-5-6-11-20/h2-4,7-9,12,15-16,20,25H,5-6,10-11,13-14,17H2,1H3,(H,27,33)(H,28,29,31)
InChIKeyPOZPNDPDKFMYES-UHFFFAOYSA-N
XLogP4.59
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.62
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4E)-5-(4-fluorophenyl)-4-[hydroxy(thiophen-2-yl)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione
CID 3740686
N-(Cyclopentylcarbamoyl-thiophen-2-yl-methyl)-N'-(5-methyl-isoxazol-3-yl)-N-phenyl-succinamide
CID 645511
N-(4-{[(5-methyl-3-isoxazolyl)amino]carbonyl}phenyl)-2-thiophenecarboxamide
CID 973273
1-(5-Methyl-3-isoxazolyl)-3-{4-[4-(2-thienylcarbonyl)phenyl]-1-piperazinyl}-2,5-pyrrolidinedione
CID 2978637
Pentanedioic acid (cyclohexylcarbamoyl-thiophen-2-yl-methyl)-phenyl-amide (5-methyl-isoxazol-3-yl)-amide
CID 3153683
N-(Cyclohexylcarbamoyl-thiophen-2-yl-methyl)-N'-(5-methyl-isoxazol-3-yl)-N-phenyl-succinamide
CID 3206376
N-Butyl-N-[cyclopentylcarbamoyl-(4-fluoro-phenyl)-methyl]-N'-(5-methyl-isoxazol-3-yl)-succinamide
CID 3210675
N-(Cyclopentylcarbamoyl-thiophen-2-yl-methyl)-N'-(5-methyl-isoxazol-3-yl)-N-p-tolyl-succinamide
CID 3210696
N-(Cyclopentylcarbamoyl-phenyl-methyl)-N-(4-fluoro-phenyl)-N'-(5-methyl-isoxazol-3-yl)-succinamide
CID 3210703
N-(Cyclopentylcarbamoyl-phenyl-methyl)-N'-(5-methyl-isoxazol-3-yl)-N-phenyl-succinamide
CID 3210707
N-(Cyclopentylcarbamoyl-phenyl-methyl)-N'-(5-methyl-isoxazol-3-yl)-N-o-tolyl-succinamide
CID 3210708
N-(Cyclopentylcarbamoyl-phenyl-methyl)-N'-(5-methyl-isoxazol-3-yl)-N-m-tolyl-succinamide
CID 3210709

Frequently Asked Questions

What is the IUPAC name of N'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(thiophen-2-ylmethyl)butanediamide?
The IUPAC name of N'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(thiophen-2-ylmethyl)butanediamide (CID 3210705) is N'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(thiophen-2-ylmethyl)butanediamide.
What is the SMILES notation for N'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(thiophen-2-ylmethyl)butanediamide?
The canonical SMILES for N'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(thiophen-2-ylmethyl)butanediamide is Cc1cc(NC(=O)CCC(=O)N(Cc2cccs2)C(C(=O)NC2CCCC2)c2ccccc2)no1.
What is the InChIKey of N'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(thiophen-2-ylmethyl)butanediamide?
The InChIKey is POZPNDPDKFMYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4S/c1-18-16-22(29-34-18)28-23(31)13-14-24(32)30(17-21-12-7-15-35-21)25(19-8-3-2-4-9-19)26(33)27-20-10-5-6-11-20/h2-4,7-9,12,15-16,20,25H,5-6,10-11,13-14,17H2,1H3,(H,27,33)(H,28,29,31).
What are the key properties of N'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(thiophen-2-ylmethyl)butanediamide?
N'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(thiophen-2-ylmethyl)butanediamide has a molecular weight of 494.62 g/mol, XLogP of 4.59, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(thiophen-2-ylmethyl)butanediamide is sourced from PubChem (CID 3210705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).