2-[benzyl-(2-oxo-2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-3-oxobutanamide

C22H24N2O4S — CID 70698581

IUPAC2-[benzyl-(2-oxo-2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-3-oxobutanamide
SMILESCC(=O)C(C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)C(=O)c1cccs1
InChIInChI=1S/C22H24N2O4S/c1-15(25)19(21(27)23-17-10-5-6-11-17)24(14-16-8-3-2-4-9-16)22(28)20(26)18-12-7-13-29-18/h2-4,7-9,12-13,17,19H,5-6,10-11,14H2,1H3,(H,23,27)
InChIKeyOZQWPVSUYMLGOP-UHFFFAOYSA-N
MW412.51 g/mol
LogP2.98
Rot. Bonds8

About 2-[benzyl-(2-oxo-2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-3-oxobutanamide

2-[benzyl-(2-oxo-2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-3-oxobutanamide (PubChem CID 70698581) has the molecular formula C22H24N2O4S and a molecular weight of 412.51 g/mol. Its IUPAC name is 2-[benzyl-(2-oxo-2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-3-oxobutanamide.

Molecular Properties

Compound Name2-[benzyl-(2-oxo-2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-3-oxobutanamide
PubChem CID70698581
Molecular FormulaC22H24N2O4S
Molecular Weight412.51 g/mol
Exact Mass412.15
IUPAC Name2-[benzyl-(2-oxo-2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-3-oxobutanamide
SMILESCC(=O)C(C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)C(=O)c1cccs1
InChIInChI=1S/C22H24N2O4S/c1-15(25)19(21(27)23-17-10-5-6-11-17)24(14-16-8-3-2-4-9-16)22(28)20(26)18-12-7-13-29-18/h2-4,7-9,12-13,17,19H,5-6,10-11,14H2,1H3,(H,23,27)
InChIKeyOZQWPVSUYMLGOP-UHFFFAOYSA-N
XLogP2.98
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoroacetamide
CID 1083856
2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide
CID 3202445
N-[2-[[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-(2-phenylethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 3211058
2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(4-ethoxyphenyl)acetamide
CID 3202675
2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-pyridin-4-ylacetamide
CID 3191114
N-[(1S)-2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide
CID 1435805
N-cycloheptyl-2-oxo-2-thiophen-2-ylacetamide
CID 82119541
2-[benzyl-[2-(2-methylphenyl)acetyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 133263659
1-benzyl-3-cyclohexyl-1-[(2R)-1-thiophen-2-ylpropan-2-yl]thiourea
CID 8727561
N-benzyl-N-[2-(cyclohexylamino)-1-(6-methylcyclohex-3-en-1-yl)-2-oxoethyl]benzamide
CID 166332777
2-[benzyl-[2-(2-fluorophenyl)acetyl]amino]-N-cyclohexylbutanamide
CID 132986143
(2R)-N-cyclohexyl-2-[[2-(4-methylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 100589536

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(2-oxo-2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-3-oxobutanamide?
The IUPAC name of 2-[benzyl-(2-oxo-2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-3-oxobutanamide (CID 70698581) is 2-[benzyl-(2-oxo-2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-3-oxobutanamide.
What is the SMILES notation for 2-[benzyl-(2-oxo-2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-3-oxobutanamide?
The canonical SMILES for 2-[benzyl-(2-oxo-2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-3-oxobutanamide is CC(=O)C(C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)C(=O)c1cccs1.
What is the InChIKey of 2-[benzyl-(2-oxo-2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-3-oxobutanamide?
The InChIKey is OZQWPVSUYMLGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4S/c1-15(25)19(21(27)23-17-10-5-6-11-17)24(14-16-8-3-2-4-9-16)22(28)20(26)18-12-7-13-29-18/h2-4,7-9,12-13,17,19H,5-6,10-11,14H2,1H3,(H,23,27).
What are the key properties of 2-[benzyl-(2-oxo-2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-3-oxobutanamide?
2-[benzyl-(2-oxo-2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-3-oxobutanamide has a molecular weight of 412.51 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(2-oxo-2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-3-oxobutanamide is sourced from PubChem (CID 70698581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).