N-cyclopentyl-2-(2,3-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(5-methylfuran-2-yl)acetamide

C26H30N2O3S — CID 3202475

IUPACN-cyclopentyl-2-(2,3-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(5-methylfuran-2-yl)acetamide
SMILESCc1ccc(C(C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2cccc(C)c2C)o1
InChIInChI=1S/C26H30N2O3S/c1-17-8-6-12-22(19(17)3)28(24(29)16-21-11-7-15-32-21)25(23-14-13-18(2)31-23)26(30)27-20-9-4-5-10-20/h6-8,11-15,20,25H,4-5,9-10,16H2,1-3H3,(H,27,30)
InChIKeyWUNGCBCWJLWJPG-UHFFFAOYSA-N
MW450.60 g/mol
LogP5.64
Rot. Bonds7

About N-cyclopentyl-2-(2,3-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(5-methylfuran-2-yl)acetamide

N-cyclopentyl-2-(2,3-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(5-methylfuran-2-yl)acetamide (PubChem CID 3202475) has the molecular formula C26H30N2O3S and a molecular weight of 450.60 g/mol. Its IUPAC name is N-cyclopentyl-2-(2,3-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(5-methylfuran-2-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(2,3-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(5-methylfuran-2-yl)acetamide
PubChem CID3202475
Molecular FormulaC26H30N2O3S
Molecular Weight450.60 g/mol
Exact Mass450.20
IUPAC NameN-cyclopentyl-2-(2,3-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(5-methylfuran-2-yl)acetamide
SMILESCc1ccc(C(C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2cccc(C)c2C)o1
InChIInChI=1S/C26H30N2O3S/c1-17-8-6-12-22(19(17)3)28(24(29)16-21-11-7-15-32-21)25(23-14-13-18(2)31-23)26(30)27-20-9-4-5-10-20/h6-8,11-15,20,25H,4-5,9-10,16H2,1-3H3,(H,27,30)
InChIKeyWUNGCBCWJLWJPG-UHFFFAOYSA-N
XLogP5.64
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.60
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(2,3-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(5-methylfuran-2-yl)acetamide?
The IUPAC name of N-cyclopentyl-2-(2,3-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(5-methylfuran-2-yl)acetamide (CID 3202475) is N-cyclopentyl-2-(2,3-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(5-methylfuran-2-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(2,3-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(5-methylfuran-2-yl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(2,3-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(5-methylfuran-2-yl)acetamide is Cc1ccc(C(C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2cccc(C)c2C)o1.
What is the InChIKey of N-cyclopentyl-2-(2,3-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(5-methylfuran-2-yl)acetamide?
The InChIKey is WUNGCBCWJLWJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3S/c1-17-8-6-12-22(19(17)3)28(24(29)16-21-11-7-15-32-21)25(23-14-13-18(2)31-23)26(30)27-20-9-4-5-10-20/h6-8,11-15,20,25H,4-5,9-10,16H2,1-3H3,(H,27,30).
What are the key properties of N-cyclopentyl-2-(2,3-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(5-methylfuran-2-yl)acetamide?
N-cyclopentyl-2-(2,3-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(5-methylfuran-2-yl)acetamide has a molecular weight of 450.60 g/mol, XLogP of 5.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(2,3-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(5-methylfuran-2-yl)acetamide is sourced from PubChem (CID 3202475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).