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

C24H25FN6O3S — CID 3179209

IUPACN-tert-butyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(c3cccc(F)c3)C(C(=O)NC(C)(C)C)c3cccs3)n2)o1
InChIInChI=1S/C24H25FN6O3S/c1-15-10-11-18(34-15)22-27-29-30(28-22)14-20(32)31(17-8-5-7-16(25)13-17)21(19-9-6-12-35-19)23(33)26-24(2,3)4/h5-13,21H,14H2,1-4H3,(H,26,33)
InChIKeyRDJHZJQNYOSSJK-UHFFFAOYSA-N
MW496.57 g/mol
LogP4.13
Rot. Bonds7

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

N-tert-butyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide (PubChem CID 3179209) has the molecular formula C24H25FN6O3S and a molecular weight of 496.57 g/mol. Its IUPAC name is N-tert-butyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide
PubChem CID3179209
Molecular FormulaC24H25FN6O3S
Molecular Weight496.57 g/mol
Exact Mass496.17
IUPAC NameN-tert-butyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(c3cccc(F)c3)C(C(=O)NC(C)(C)C)c3cccs3)n2)o1
InChIInChI=1S/C24H25FN6O3S/c1-15-10-11-18(34-15)22-27-29-30(28-22)14-20(32)31(17-8-5-7-16(25)13-17)21(19-9-6-12-35-19)23(33)26-24(2,3)4/h5-13,21H,14H2,1-4H3,(H,26,33)
InChIKeyRDJHZJQNYOSSJK-UHFFFAOYSA-N
XLogP4.13
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.57
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-tert-Butyl-2-((4-fluoro-phenyl)-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-2-furan-2-yl-acetamide
CID 3179107
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-Cyclopentyl-2-((4-fluoro-phenyl)-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-butyramide
CID 3179950
2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide
CID 3180898
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-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
N-tert-Butyl-2-((3-hydroxy-phenyl)-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-2-thiophen-2-yl-acetamide
CID 656139
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-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(furan-2-yl)acetamide
CID 3179105
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-fluoro-phenyl)-2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetamide
CID 3179770

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3-fluoro-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-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide (CID 3179209) is N-tert-butyl-2-(3-fluoro-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-fluoro-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-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide is Cc1ccc(-c2nnn(CC(=O)N(c3cccc(F)c3)C(C(=O)NC(C)(C)C)c3cccs3)n2)o1.
What is the InChIKey of N-tert-butyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide?
The InChIKey is RDJHZJQNYOSSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O3S/c1-15-10-11-18(34-15)22-27-29-30(28-22)14-20(32)31(17-8-5-7-16(25)13-17)21(19-9-6-12-35-19)23(33)26-24(2,3)4/h5-13,21H,14H2,1-4H3,(H,26,33).
What are the key properties of N-tert-butyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide?
N-tert-butyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide has a molecular weight of 496.57 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 3179209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).