N-cyclopentyl-2-[furan-2-ylmethyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-thiophen-2-ylacetamide

C23H24N6O3S2 — CID 647158

IUPACN-cyclopentyl-2-[furan-2-ylmethyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-thiophen-2-ylacetamide
SMILESO=C(NC1CCCC1)C(c1cccs1)N(Cc1ccco1)C(=O)Cn1nnc(-c2cccs2)n1
InChIInChI=1S/C23H24N6O3S2/c30-20(15-29-26-22(25-27-29)19-10-5-13-34-19)28(14-17-8-3-11-32-17)21(18-9-4-12-33-18)23(31)24-16-6-1-2-7-16/h3-5,8-13,16,21H,1-2,6-7,14-15H2,(H,24,31)
InChIKeyOPWSZHPZQNYNFX-UHFFFAOYSA-N
MW496.62 g/mol
LogP3.88
Rot. Bonds9

About N-cyclopentyl-2-[furan-2-ylmethyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-thiophen-2-ylacetamide

N-cyclopentyl-2-[furan-2-ylmethyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-thiophen-2-ylacetamide (PubChem CID 647158) has the molecular formula C23H24N6O3S2 and a molecular weight of 496.62 g/mol. Its IUPAC name is N-cyclopentyl-2-[furan-2-ylmethyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[furan-2-ylmethyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-thiophen-2-ylacetamide
PubChem CID647158
Molecular FormulaC23H24N6O3S2
Molecular Weight496.62 g/mol
Exact Mass496.14
IUPAC NameN-cyclopentyl-2-[furan-2-ylmethyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-thiophen-2-ylacetamide
SMILESO=C(NC1CCCC1)C(c1cccs1)N(Cc1ccco1)C(=O)Cn1nnc(-c2cccs2)n1
InChIInChI=1S/C23H24N6O3S2/c30-20(15-29-26-22(25-27-29)19-10-5-13-34-19)28(14-17-8-3-11-32-17)21(18-9-4-12-33-18)23(31)24-16-6-1-2-7-16/h3-5,8-13,16,21H,1-2,6-7,14-15H2,(H,24,31)
InChIKeyOPWSZHPZQNYNFX-UHFFFAOYSA-N
XLogP3.88
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.62
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(2-furylmethyl)-2-[5-(2-thienyl)-2H-tetrazol-2-yl]acetamide
CID 862079
N-Cyclopentyl-2-furan-2-yl-2-({2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-thiophen-2-ylmethyl-amino)-acetamide
CID 646873
2-(5-Furan-2-yl-4-furan-2-ylmethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-thiophen-2-ylmethyl-acetamide
CID 648202
N-tert-butyl-2-(2-furanyl)-2-[[2-[5-(5-methyl-2-furanyl)-2-tetrazolyl]-1-oxoethyl]-(thiophen-2-ylmethyl)amino]acetamide
CID 648700
N-{[(Furan-2-ylmethyl)-carbamoyl]-methyl}-N-phenethyl-2-(5-thiophen-2-yl-tetrazol-2-yl)-acetamide
CID 649663
N-(Benzylcarbamoyl-methyl)-N-furan-2-ylmethyl-2-(5-thiophen-2-yl-tetrazol-2-yl)-acetamide
CID 653806
N-Cyclohexyl-2-furan-2-yl-2-({2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-thiophen-2-ylmethyl-amino)-acetamide
CID 3174912
2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide
CID 3180898
N-tert-Butyl-2-{furan-2-ylmethyl-[2-(5-thiophen-2-yl-tetrazol-2-yl)-acetyl]-amino}-2-(4-hydroxy-phenyl)-acetamide
CID 3190081
N-tert-Butyl-2-(furan-2-ylmethyl-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-2-thiophen-2-yl-acetamide
CID 647537
N-tert-Butyl-2-(5-methyl-furan-2-yl)-2-({2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-thiophen-2-ylmethyl-amino)-acetamide
CID 651565
N-tert-butyl-2-[2-(diethylamino)ethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide
CID 3174667

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[furan-2-ylmethyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-thiophen-2-ylacetamide?
The IUPAC name of N-cyclopentyl-2-[furan-2-ylmethyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-thiophen-2-ylacetamide (CID 647158) is N-cyclopentyl-2-[furan-2-ylmethyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-cyclopentyl-2-[furan-2-ylmethyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-cyclopentyl-2-[furan-2-ylmethyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-thiophen-2-ylacetamide is O=C(NC1CCCC1)C(c1cccs1)N(Cc1ccco1)C(=O)Cn1nnc(-c2cccs2)n1.
What is the InChIKey of N-cyclopentyl-2-[furan-2-ylmethyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-thiophen-2-ylacetamide?
The InChIKey is OPWSZHPZQNYNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3S2/c30-20(15-29-26-22(25-27-29)19-10-5-13-34-19)28(14-17-8-3-11-32-17)21(18-9-4-12-33-18)23(31)24-16-6-1-2-7-16/h3-5,8-13,16,21H,1-2,6-7,14-15H2,(H,24,31).
What are the key properties of N-cyclopentyl-2-[furan-2-ylmethyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-thiophen-2-ylacetamide?
N-cyclopentyl-2-[furan-2-ylmethyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-thiophen-2-ylacetamide has a molecular weight of 496.62 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[furan-2-ylmethyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 647158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).