2-[butyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide

C22H30N2O3S — CID 3751458

IUPAC2-[butyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide
SMILESCCCCN(C(=O)Cc1cccs1)C(C(=O)NC1CCCC1)c1ccc(C)o1
InChIInChI=1S/C22H30N2O3S/c1-3-4-13-24(20(25)15-18-10-7-14-28-18)21(19-12-11-16(2)27-19)22(26)23-17-8-5-6-9-17/h7,10-12,14,17,21H,3-6,8-9,13,15H2,1-2H3,(H,23,26)
InChIKeyRSARSYVSINLLET-UHFFFAOYSA-N
MW402.56 g/mol
LogP4.62
Rot. Bonds9

About 2-[butyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide

2-[butyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide (PubChem CID 3751458) has the molecular formula C22H30N2O3S and a molecular weight of 402.56 g/mol. Its IUPAC name is 2-[butyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide.

Molecular Properties

Compound Name2-[butyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide
PubChem CID3751458
Molecular FormulaC22H30N2O3S
Molecular Weight402.56 g/mol
Exact Mass402.20
IUPAC Name2-[butyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide
SMILESCCCCN(C(=O)Cc1cccs1)C(C(=O)NC1CCCC1)c1ccc(C)o1
InChIInChI=1S/C22H30N2O3S/c1-3-4-13-24(20(25)15-18-10-7-14-28-18)21(19-12-11-16(2)27-19)22(26)23-17-8-5-6-9-17/h7,10-12,14,17,21H,3-6,8-9,13,15H2,1-2H3,(H,23,26)
InChIKeyRSARSYVSINLLET-UHFFFAOYSA-N
XLogP4.62
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide
CID 3202445
N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-(5-methylfuran-2-yl)acetamide
CID 3202441
N-cyclopentyl-2-(3,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(5-methylfuran-2-yl)acetamide
CID 3202469
(2R)-N-cyclopentyl-2-(3,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(5-methylfuran-2-yl)acetamide
CID 1435899
2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide
CID 3202455
methyl 4-[[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-(2-thiophen-2-ylacetyl)amino]benzoate
CID 3202452
N-cyclopentyl-2-[3-ethoxypropyl-(2-thiophen-2-ylacetyl)amino]-2-(4-ethylphenyl)acetamide
CID 3202875
N-cyclopentyl-2-[3-ethoxypropyl-(2-thiophen-2-ylacetyl)amino]-2-(4-fluorophenyl)acetamide
CID 3202751
N-cyclopentyl-2-(2,5-dimethoxyphenyl)-2-[3-ethoxypropyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3202615
N-cyclopentyl-2-(4-ethylphenyl)-2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3202874
N-cyclopentyl-2-(4-methoxyphenyl)-2-[2-phenylethyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3202722
2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(4-ethoxyphenyl)acetamide
CID 3202675

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide?
The IUPAC name of 2-[butyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide (CID 3751458) is 2-[butyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide.
What is the SMILES notation for 2-[butyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide?
The canonical SMILES for 2-[butyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide is CCCCN(C(=O)Cc1cccs1)C(C(=O)NC1CCCC1)c1ccc(C)o1.
What is the InChIKey of 2-[butyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide?
The InChIKey is RSARSYVSINLLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3S/c1-3-4-13-24(20(25)15-18-10-7-14-28-18)21(19-12-11-16(2)27-19)22(26)23-17-8-5-6-9-17/h7,10-12,14,17,21H,3-6,8-9,13,15H2,1-2H3,(H,23,26).
What are the key properties of 2-[butyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide?
2-[butyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide has a molecular weight of 402.56 g/mol, XLogP of 4.62, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide is sourced from PubChem (CID 3751458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).