N-tert-butyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide

C24H26N6O4S — CID 656139

IUPACN-tert-butyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(c3cccc(O)c3)C(C(=O)NC(C)(C)C)c3cccs3)n2)o1
InChIInChI=1S/C24H26N6O4S/c1-15-10-11-18(34-15)22-26-28-29(27-22)14-20(32)30(16-7-5-8-17(31)13-16)21(19-9-6-12-35-19)23(33)25-24(2,3)4/h5-13,21,31H,14H2,1-4H3,(H,25,33)
InChIKeyVDMUISDVDOJNER-UHFFFAOYSA-N
MW494.58 g/mol
LogP3.70
Rot. Bonds7

About N-tert-butyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide

N-tert-butyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide (PubChem CID 656139) has the molecular formula C24H26N6O4S and a molecular weight of 494.58 g/mol. Its IUPAC name is N-tert-butyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide
PubChem CID656139
Molecular FormulaC24H26N6O4S
Molecular Weight494.58 g/mol
Exact Mass494.17
IUPAC NameN-tert-butyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(c3cccc(O)c3)C(C(=O)NC(C)(C)C)c3cccs3)n2)o1
InChIInChI=1S/C24H26N6O4S/c1-15-10-11-18(34-15)22-26-28-29(27-22)14-20(32)30(16-7-5-8-17(31)13-16)21(19-9-6-12-35-19)23(33)25-24(2,3)4/h5-13,21,31H,14H2,1-4H3,(H,25,33)
InChIKeyVDMUISDVDOJNER-UHFFFAOYSA-N
XLogP3.70
TPSA126.38 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.58
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

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-[2-(diethylamino)ethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide
CID 3174667
N-tert-Butyl-2-({2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-phenyl-amino)-2-thiophen-2-yl-acetamide
CID 3179194
N-Cyclopentylcarbamoylmethyl-N-(3-methoxy-phenyl)-2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetamide
CID 3179792
N-Cyclopentyl-2-((3-methoxy-phenyl)-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-butyramide
CID 3179962
2-Furan-2-yl-N-(3-methyl-butyl)-2-{[2-(5-thiophen-2-yl-tetrazol-2-yl)-acetyl]-o-tolyl-amino}-acetamide
CID 3190119
N-Cyclopentyl-2-((3-hydroxy-phenyl)-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-butyramide
CID 3179954
2-((3-Hydroxy-phenyl)-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-pentanoic acid cyclopentylamide
CID 3180026
N-tert-butyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide
CID 3179209

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide?
The IUPAC name of N-tert-butyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide (CID 656139) is N-tert-butyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-tert-butyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-tert-butyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide is Cc1ccc(-c2nnn(CC(=O)N(c3cccc(O)c3)C(C(=O)NC(C)(C)C)c3cccs3)n2)o1.
What is the InChIKey of N-tert-butyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide?
The InChIKey is VDMUISDVDOJNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O4S/c1-15-10-11-18(34-15)22-26-28-29(27-22)14-20(32)30(16-7-5-8-17(31)13-16)21(19-9-6-12-35-19)23(33)25-24(2,3)4/h5-13,21,31H,14H2,1-4H3,(H,25,33).
What are the key properties of N-tert-butyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide?
N-tert-butyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide has a molecular weight of 494.58 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 656139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).