2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide

C25H26N6O4S — CID 3180898

IUPAC2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(c3ccccc3)C(C(=O)NCC3CCCO3)c3cccs3)n2)o1
InChIInChI=1S/C25H26N6O4S/c1-17-11-12-20(35-17)24-27-29-30(28-24)16-22(32)31(18-7-3-2-4-8-18)23(21-10-6-14-36-21)25(33)26-15-19-9-5-13-34-19/h2-4,6-8,10-12,14,19,23H,5,9,13,15-16H2,1H3,(H,26,33)
InChIKeyQIYPOXRFCASUJV-UHFFFAOYSA-N
MW506.59 g/mol
LogP3.37
Rot. Bonds9

About 2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide

2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide (PubChem CID 3180898) has the molecular formula C25H26N6O4S and a molecular weight of 506.59 g/mol. Its IUPAC name is 2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide
PubChem CID3180898
Molecular FormulaC25H26N6O4S
Molecular Weight506.59 g/mol
Exact Mass506.17
IUPAC Name2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(c3ccccc3)C(C(=O)NCC3CCCO3)c3cccs3)n2)o1
InChIInChI=1S/C25H26N6O4S/c1-17-11-12-20(35-17)24-27-29-30(28-24)16-22(32)31(18-7-3-2-4-8-18)23(21-10-6-14-36-21)25(33)26-15-19-9-5-13-34-19/h2-4,6-8,10-12,14,19,23H,5,9,13,15-16H2,1H3,(H,26,33)
InChIKeyQIYPOXRFCASUJV-UHFFFAOYSA-N
XLogP3.37
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.59
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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
N-Cyclopentyl-2-{furan-2-ylmethyl-[2-(5-thiophen-2-yl-tetrazol-2-yl)-acetyl]-amino}-2-thiophen-2-yl-acetamide
CID 647158
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-(Benzylcarbamoyl-methyl)-N-furan-2-ylmethyl-2-(5-thiophen-2-yl-tetrazol-2-yl)-acetamide
CID 653806
N-Cyclopentyl-2-furan-2-yl-2-({2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-phenyl-amino)-acetamide
CID 655204
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
N-tert-Butyl-2-((3-methoxy-phenyl)-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-2-thiophen-2-yl-acetamide
CID 3179221
N-Isopropyl-2-{(3-methoxy-phenyl)-[2-(5-thiophen-2-yl-tetrazol-2-yl)-acetyl]-amino}-2-(5-methyl-furan-2-yl)-acetamide
CID 3229365
N-(furan-2-ylmethyl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 4879065
N-(2-methoxyphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 3190220
N-Cyclopropyl-2-{(2,5-dimethyl-phenyl)-[2-(5-thiophen-2-yl-tetrazol-2-yl)-acetyl]-amino}-2-(5-methyl-furan-2-yl)-acetamide
CID 646271
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

Frequently Asked Questions

What is the IUPAC name of 2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide?
The IUPAC name of 2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide (CID 3180898) is 2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for 2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide is Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3)C(C(=O)NCC3CCCO3)c3cccs3)n2)o1.
What is the InChIKey of 2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide?
The InChIKey is QIYPOXRFCASUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O4S/c1-17-11-12-20(35-17)24-27-29-30(28-24)16-22(32)31(18-7-3-2-4-8-18)23(21-10-6-14-36-21)25(33)26-15-19-9-5-13-34-19/h2-4,6-8,10-12,14,19,23H,5,9,13,15-16H2,1H3,(H,26,33).
What are the key properties of 2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide?
2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide has a molecular weight of 506.59 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 3180898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).