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

C24H25FN6O4 — CID 3179105

IUPACN-tert-butyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(furan-2-yl)acetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(c3cccc(F)c3)C(C(=O)NC(C)(C)C)c3ccco3)n2)o1
InChIInChI=1S/C24H25FN6O4/c1-15-10-11-19(35-15)22-27-29-30(28-22)14-20(32)31(17-8-5-7-16(25)13-17)21(18-9-6-12-34-18)23(33)26-24(2,3)4/h5-13,21H,14H2,1-4H3,(H,26,33)
InChIKeyTUHYMKPXMABOSD-UHFFFAOYSA-N
MW480.50 g/mol
LogP3.66
Rot. Bonds7

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

N-tert-butyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(furan-2-yl)acetamide (PubChem CID 3179105) has the molecular formula C24H25FN6O4 and a molecular weight of 480.50 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-(furan-2-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(furan-2-yl)acetamide
PubChem CID3179105
Molecular FormulaC24H25FN6O4
Molecular Weight480.50 g/mol
Exact Mass480.19
IUPAC NameN-tert-butyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(furan-2-yl)acetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(c3cccc(F)c3)C(C(=O)NC(C)(C)C)c3ccco3)n2)o1
InChIInChI=1S/C24H25FN6O4/c1-15-10-11-19(35-15)22-27-29-30(28-22)14-20(32)31(17-8-5-7-16(25)13-17)21(18-9-6-12-34-18)23(33)26-24(2,3)4/h5-13,21H,14H2,1-4H3,(H,26,33)
InChIKeyTUHYMKPXMABOSD-UHFFFAOYSA-N
XLogP3.66
TPSA119.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.50
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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-(furan-2-yl)acetamide?
The IUPAC name of 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) is N-tert-butyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(furan-2-yl)acetamide.
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-(furan-2-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(furan-2-yl)acetamide is Cc1ccc(-c2nnn(CC(=O)N(c3cccc(F)c3)C(C(=O)NC(C)(C)C)c3ccco3)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-(furan-2-yl)acetamide?
The InChIKey is TUHYMKPXMABOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O4/c1-15-10-11-19(35-15)22-27-29-30(28-22)14-20(32)31(17-8-5-7-16(25)13-17)21(18-9-6-12-34-18)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-(furan-2-yl)acetamide?
N-tert-butyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(furan-2-yl)acetamide has a molecular weight of 480.50 g/mol, XLogP of 3.66, 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-(furan-2-yl)acetamide is sourced from PubChem (CID 3179105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).