N-tert-butyl-2-(furan-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide

C23H26N6O4S — CID 648700

IUPACN-tert-butyl-2-(furan-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)C(C(=O)NC(C)(C)C)c3ccco3)n2)o1
InChIInChI=1S/C23H26N6O4S/c1-15-9-10-18(33-15)21-25-27-29(26-21)14-19(30)28(13-16-7-6-12-34-16)20(17-8-5-11-32-17)22(31)24-23(2,3)4/h5-12,20H,13-14H2,1-4H3,(H,24,31)
InChIKeyKLVIWFOZQCTLQL-UHFFFAOYSA-N
MW482.57 g/mol
LogP3.58
Rot. Bonds8

About N-tert-butyl-2-(furan-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide

N-tert-butyl-2-(furan-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide (PubChem CID 648700) has the molecular formula C23H26N6O4S and a molecular weight of 482.57 g/mol. Its IUPAC name is N-tert-butyl-2-(furan-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(furan-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide
PubChem CID648700
Molecular FormulaC23H26N6O4S
Molecular Weight482.57 g/mol
Exact Mass482.17
IUPAC NameN-tert-butyl-2-(furan-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)C(C(=O)NC(C)(C)C)c3ccco3)n2)o1
InChIInChI=1S/C23H26N6O4S/c1-15-9-10-18(33-15)21-25-27-29(26-21)14-19(30)28(13-16-7-6-12-34-16)20(17-8-5-11-32-17)22(31)24-23(2,3)4/h5-12,20H,13-14H2,1-4H3,(H,24,31)
InChIKeyKLVIWFOZQCTLQL-UHFFFAOYSA-N
XLogP3.58
TPSA119.29 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.57
LogP ≤ 53.58
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
N-Cyclopentyl-2-{furan-2-ylmethyl-[2-(5-thiophen-2-yl-tetrazol-2-yl)-acetyl]-amino}-2-thiophen-2-yl-acetamide
CID 647158
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-Cyclopentyl-2-((3-ethoxy-propyl)-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-2-(5-methyl-furan-2-yl)-acetamide
CID 3174772
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
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-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-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 N-tert-butyl-2-(furan-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-(furan-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide (CID 648700) is N-tert-butyl-2-(furan-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-(furan-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-(furan-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide is Cc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)C(C(=O)NC(C)(C)C)c3ccco3)n2)o1.
What is the InChIKey of N-tert-butyl-2-(furan-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide?
The InChIKey is KLVIWFOZQCTLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O4S/c1-15-9-10-18(33-15)21-25-27-29(26-21)14-19(30)28(13-16-7-6-12-34-16)20(17-8-5-11-32-17)22(31)24-23(2,3)4/h5-12,20H,13-14H2,1-4H3,(H,24,31).
What are the key properties of N-tert-butyl-2-(furan-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide?
N-tert-butyl-2-(furan-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide has a molecular weight of 482.57 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(furan-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 648700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).