N-cyclopentyl-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-2-ylacetamide

C22H28N2O3S2 — CID 647779

IUPACN-cyclopentyl-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-2-ylacetamide
SMILESO=C(NC1CCCC1)C(c1cccs1)N(CC1CCCO1)C(=O)Cc1cccs1
InChIInChI=1S/C22H28N2O3S2/c25-20(14-18-9-4-12-28-18)24(15-17-8-3-11-27-17)21(19-10-5-13-29-19)22(26)23-16-6-1-2-7-16/h4-5,9-10,12-13,16-17,21H,1-3,6-8,11,14-15H2,(H,23,26)
InChIKeyCRZVIMUDNUKTIP-UHFFFAOYSA-N
MW432.61 g/mol
LogP4.16
Rot. Bonds8

About N-cyclopentyl-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-2-ylacetamide

N-cyclopentyl-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-2-ylacetamide (PubChem CID 647779) has the molecular formula C22H28N2O3S2 and a molecular weight of 432.61 g/mol. Its IUPAC name is N-cyclopentyl-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-2-ylacetamide
PubChem CID647779
Molecular FormulaC22H28N2O3S2
Molecular Weight432.61 g/mol
Exact Mass432.15
IUPAC NameN-cyclopentyl-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-2-ylacetamide
SMILESO=C(NC1CCCC1)C(c1cccs1)N(CC1CCCO1)C(=O)Cc1cccs1
InChIInChI=1S/C22H28N2O3S2/c25-20(14-18-9-4-12-28-18)24(15-17-8-3-11-27-17)21(19-10-5-13-29-19)22(26)23-16-6-1-2-7-16/h4-5,9-10,12-13,16-17,21H,1-3,6-8,11,14-15H2,(H,23,26)
InChIKeyCRZVIMUDNUKTIP-UHFFFAOYSA-N
XLogP4.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.61
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Thiophene-2-carboxylic acid {[(cyclopentylcarbamoyl-thiophen-2-yl-methyl)-(2-methoxy-ethyl)-carbamoyl]-methyl}-amide
CID 649267
N-cyclopentyl-N~2~-(thiophen-2-ylacetyl)-N~2~-(thiophen-2-ylmethyl)isovalinamide
CID 3242787
N-cyclopentyl-1-[(tetrahydrofuran-2-ylmethyl)(thiophen-2-ylacetyl)amino]cyclohexanecarboxamide
CID 3964655
N-cyclohexyl-N~2~-(tetrahydrofuran-2-ylmethyl)-N~2~-(thiophen-2-ylacetyl)isovalinamide
CID 4233826
N-[1-(Morpholin-4-YL)-1-(thiophen-2-YL)propan-2-YL]-2-(thiophen-2-YL)acetamide
CID 3237199
N-(oxolan-2-ylmethyl)-N'-(thiophen-2-ylmethyl)oxamide
CID 2931908
N-(2-morpholino-2-(thiophen-3-yl)ethyl)-2-(thiophen-2-yl)acetamide
CID 16931688
N1-((tetrahydrofuran-2-yl)methyl)-N2-((5-(thiophene-2-carbonyl)thiophen-2-yl)methyl)oxalamide
CID 76147321
2-methyl-5-oxo-N-(oxolan-2-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 122174759
N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide
CID 3153720
N-cyclopentyl-2-(4-fluorophenyl)-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3202757
N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide
CID 3216619

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-2-ylacetamide?
The IUPAC name of N-cyclopentyl-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-2-ylacetamide (CID 647779) is N-cyclopentyl-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-cyclopentyl-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-cyclopentyl-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-2-ylacetamide is O=C(NC1CCCC1)C(c1cccs1)N(CC1CCCO1)C(=O)Cc1cccs1.
What is the InChIKey of N-cyclopentyl-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-2-ylacetamide?
The InChIKey is CRZVIMUDNUKTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S2/c25-20(14-18-9-4-12-28-18)24(15-17-8-3-11-27-17)21(19-10-5-13-29-19)22(26)23-16-6-1-2-7-16/h4-5,9-10,12-13,16-17,21H,1-3,6-8,11,14-15H2,(H,23,26).
What are the key properties of N-cyclopentyl-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-2-ylacetamide?
N-cyclopentyl-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-2-ylacetamide has a molecular weight of 432.61 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 647779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).