N-cyclopentyl-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-3-ylacetamide

C22H24N2O3S2 — CID 648156

IUPACN-cyclopentyl-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-3-ylacetamide
SMILESO=C(NC1CCCC1)C(c1ccsc1)N(Cc1ccco1)C(=O)Cc1cccs1
InChIInChI=1S/C22H24N2O3S2/c25-20(13-19-8-4-11-29-19)24(14-18-7-3-10-27-18)21(16-9-12-28-15-16)22(26)23-17-5-1-2-6-17/h3-4,7-12,15,17,21H,1-2,5-6,13-14H2,(H,23,26)
InChIKeyCDQOAKSOJDBCLO-UHFFFAOYSA-N
MW428.58 g/mol
LogP4.77
Rot. Bonds8

About N-cyclopentyl-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-3-ylacetamide

N-cyclopentyl-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-3-ylacetamide (PubChem CID 648156) has the molecular formula C22H24N2O3S2 and a molecular weight of 428.58 g/mol. Its IUPAC name is N-cyclopentyl-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-3-ylacetamide
PubChem CID648156
Molecular FormulaC22H24N2O3S2
Molecular Weight428.58 g/mol
Exact Mass428.12
IUPAC NameN-cyclopentyl-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-3-ylacetamide
SMILESO=C(NC1CCCC1)C(c1ccsc1)N(Cc1ccco1)C(=O)Cc1cccs1
InChIInChI=1S/C22H24N2O3S2/c25-20(13-19-8-4-11-29-19)24(14-18-7-3-10-27-18)21(16-9-12-28-15-16)22(26)23-17-5-1-2-6-17/h3-4,7-12,15,17,21H,1-2,5-6,13-14H2,(H,23,26)
InChIKeyCDQOAKSOJDBCLO-UHFFFAOYSA-N
XLogP4.77
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-3-ylacetamide?
The IUPAC name of N-cyclopentyl-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-3-ylacetamide (CID 648156) is N-cyclopentyl-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-cyclopentyl-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-cyclopentyl-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-3-ylacetamide is O=C(NC1CCCC1)C(c1ccsc1)N(Cc1ccco1)C(=O)Cc1cccs1.
What is the InChIKey of N-cyclopentyl-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-3-ylacetamide?
The InChIKey is CDQOAKSOJDBCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S2/c25-20(13-19-8-4-11-29-19)24(14-18-7-3-10-27-18)21(16-9-12-28-15-16)22(26)23-17-5-1-2-6-17/h3-4,7-12,15,17,21H,1-2,5-6,13-14H2,(H,23,26).
What are the key properties of N-cyclopentyl-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-3-ylacetamide?
N-cyclopentyl-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-3-ylacetamide has a molecular weight of 428.58 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 648156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).