2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]-N-cyclopentyl-2-thiophen-2-ylacetamide

C25H25ClN6O3S — CID 3180406

IUPAC2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]-N-cyclopentyl-2-thiophen-2-ylacetamide
SMILESO=C(NC1CCCC1)C(c1cccs1)N(Cc1ccco1)C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C25H25ClN6O3S/c26-18-11-9-17(10-12-18)24-28-30-32(29-24)16-22(33)31(15-20-7-3-13-35-20)23(21-8-4-14-36-21)25(34)27-19-5-1-2-6-19/h3-4,7-14,19,23H,1-2,5-6,15-16H2,(H,27,34)
InChIKeyDFZQZAUSXFXYRY-UHFFFAOYSA-N
MW525.03 g/mol
LogP4.48
Rot. Bonds9

About 2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]-N-cyclopentyl-2-thiophen-2-ylacetamide

2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]-N-cyclopentyl-2-thiophen-2-ylacetamide (PubChem CID 3180406) has the molecular formula C25H25ClN6O3S and a molecular weight of 525.03 g/mol. Its IUPAC name is 2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]-N-cyclopentyl-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]-N-cyclopentyl-2-thiophen-2-ylacetamide
PubChem CID3180406
Molecular FormulaC25H25ClN6O3S
Molecular Weight525.03 g/mol
Exact Mass524.14
IUPAC Name2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]-N-cyclopentyl-2-thiophen-2-ylacetamide
SMILESO=C(NC1CCCC1)C(c1cccs1)N(Cc1ccco1)C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C25H25ClN6O3S/c26-18-11-9-17(10-12-18)24-28-30-32(29-24)16-22(33)31(15-20-7-3-13-35-20)23(21-8-4-14-36-21)25(34)27-19-5-1-2-6-19/h3-4,7-14,19,23H,1-2,5-6,15-16H2,(H,27,34)
InChIKeyDFZQZAUSXFXYRY-UHFFFAOYSA-N
XLogP4.48
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.03
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide
CID 3180363
2-[(2-chlorophenyl)methyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-2-thiophen-2-ylacetamide
CID 3180400
N-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]-2-(4-hydroxyphenyl)acetamide
CID 3180209
(2S)-N-cyclopentyl-2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]acetamide
CID 6550839
(2S)-N-cyclopentyl-2-(4-fluorophenyl)-2-[furan-2-ylmethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]acetamide
CID 1142696
N-cyclopentyl-2-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-2-thiophen-2-ylacetamide
CID 3180389
2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-cyclohexyl-2-thiophen-2-ylacetamide
CID 3180704
(2S)-2-[(2-chlorophenyl)methyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-2-thiophen-2-ylacetamide
CID 98088377
(2S)-2-[(2-chlorophenyl)methyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclohexyl-2-thiophen-2-ylacetamide
CID 98088609
N-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-pyridin-4-ylacetamide
CID 3180470
N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]-2-(5-methylfuran-2-yl)acetamide
CID 3174791
N-tert-butyl-2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]-2-thiophen-2-ylacetamide
CID 3179190

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]-N-cyclopentyl-2-thiophen-2-ylacetamide?
The IUPAC name of 2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]-N-cyclopentyl-2-thiophen-2-ylacetamide (CID 3180406) is 2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]-N-cyclopentyl-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]-N-cyclopentyl-2-thiophen-2-ylacetamide?
The canonical SMILES for 2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]-N-cyclopentyl-2-thiophen-2-ylacetamide is O=C(NC1CCCC1)C(c1cccs1)N(Cc1ccco1)C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]-N-cyclopentyl-2-thiophen-2-ylacetamide?
The InChIKey is DFZQZAUSXFXYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN6O3S/c26-18-11-9-17(10-12-18)24-28-30-32(29-24)16-22(33)31(15-20-7-3-13-35-20)23(21-8-4-14-36-21)25(34)27-19-5-1-2-6-19/h3-4,7-14,19,23H,1-2,5-6,15-16H2,(H,27,34).
What are the key properties of 2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]-N-cyclopentyl-2-thiophen-2-ylacetamide?
2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]-N-cyclopentyl-2-thiophen-2-ylacetamide has a molecular weight of 525.03 g/mol, XLogP of 4.48, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]-N-cyclopentyl-2-thiophen-2-ylacetamide is sourced from PubChem (CID 3180406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).