N-(5-hydroxy-3-thiophen-3-ylpentyl)-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide

C21H25N3O4S — CID 126852200

IUPACN-(5-hydroxy-3-thiophen-3-ylpentyl)-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
SMILESO=C(NCCC(CCO)c1ccsc1)C(=O)Nc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C21H25N3O4S/c25-11-7-15(16-8-12-29-14-16)6-9-22-20(27)21(28)23-17-3-1-4-18(13-17)24-10-2-5-19(24)26/h1,3-4,8,12-15,25H,2,5-7,9-11H2,(H,22,27)(H,23,28)
InChIKeyPAYKOTARZFZZER-UHFFFAOYSA-N
MW415.52 g/mol
LogP2.49
Rot. Bonds8

About N-(5-hydroxy-3-thiophen-3-ylpentyl)-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide

N-(5-hydroxy-3-thiophen-3-ylpentyl)-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide (PubChem CID 126852200) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-(5-hydroxy-3-thiophen-3-ylpentyl)-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide.

Molecular Properties

Compound NameN-(5-hydroxy-3-thiophen-3-ylpentyl)-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
PubChem CID126852200
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC NameN-(5-hydroxy-3-thiophen-3-ylpentyl)-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
SMILESO=C(NCCC(CCO)c1ccsc1)C(=O)Nc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C21H25N3O4S/c25-11-7-15(16-8-12-29-14-16)6-9-22-20(27)21(28)23-17-3-1-4-18(13-17)24-10-2-5-19(24)26/h1,3-4,8,12-15,25H,2,5-7,9-11H2,(H,22,27)(H,23,28)
InChIKeyPAYKOTARZFZZER-UHFFFAOYSA-N
XLogP2.49
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 18584414
N'-[3-(2-oxopiperidin-1-yl)phenyl]-N-propyloxamide
CID 30679921
N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 126852459
N'-[3-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-propan-2-ylphenyl)oxamide
CID 44901688
N-(4-methylphenyl)-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679439
N-benzyl-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 18584460
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-N'-(1-phenylethyl)oxamide
CID 121052835
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 121054613
N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 90583757
N-[(4-methylphenyl)methyl]-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 18584462
N-[(2R)-2-hydroxy-2-phenylpropyl]-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 95368106
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-3-thiophen-3-ylpentyl)-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
The IUPAC name of N-(5-hydroxy-3-thiophen-3-ylpentyl)-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide (CID 126852200) is N-(5-hydroxy-3-thiophen-3-ylpentyl)-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide.
What is the SMILES notation for N-(5-hydroxy-3-thiophen-3-ylpentyl)-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
The canonical SMILES for N-(5-hydroxy-3-thiophen-3-ylpentyl)-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide is O=C(NCCC(CCO)c1ccsc1)C(=O)Nc1cccc(N2CCCC2=O)c1.
What is the InChIKey of N-(5-hydroxy-3-thiophen-3-ylpentyl)-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
The InChIKey is PAYKOTARZFZZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c25-11-7-15(16-8-12-29-14-16)6-9-22-20(27)21(28)23-17-3-1-4-18(13-17)24-10-2-5-19(24)26/h1,3-4,8,12-15,25H,2,5-7,9-11H2,(H,22,27)(H,23,28).
What are the key properties of N-(5-hydroxy-3-thiophen-3-ylpentyl)-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
N-(5-hydroxy-3-thiophen-3-ylpentyl)-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide has a molecular weight of 415.52 g/mol, XLogP of 2.49, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-3-thiophen-3-ylpentyl)-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide is sourced from PubChem (CID 126852200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).