N-tert-butyl-2-(4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(furan-2-yl)acetamide

C24H25FN6O4 — CID 3179107

IUPACN-tert-butyl-2-(4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(furan-2-yl)acetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(c3ccc(F)cc3)C(C(=O)NC(C)(C)C)c3ccco3)n2)o1
InChIInChI=1S/C24H25FN6O4/c1-15-7-12-19(35-15)22-27-29-30(28-22)14-20(32)31(17-10-8-16(25)9-11-17)21(18-6-5-13-34-18)23(33)26-24(2,3)4/h5-13,21H,14H2,1-4H3,(H,26,33)
InChIKeyRFTMGHUHMQJRFQ-UHFFFAOYSA-N
MW480.50 g/mol
LogP3.66
Rot. Bonds7

About N-tert-butyl-2-(4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(furan-2-yl)acetamide

N-tert-butyl-2-(4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(furan-2-yl)acetamide (PubChem CID 3179107) has the molecular formula C24H25FN6O4 and a molecular weight of 480.50 g/mol. Its IUPAC name is N-tert-butyl-2-(4-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-(4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(furan-2-yl)acetamide
PubChem CID3179107
Molecular FormulaC24H25FN6O4
Molecular Weight480.50 g/mol
Exact Mass480.19
IUPAC NameN-tert-butyl-2-(4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(furan-2-yl)acetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(c3ccc(F)cc3)C(C(=O)NC(C)(C)C)c3ccco3)n2)o1
InChIInChI=1S/C24H25FN6O4/c1-15-7-12-19(35-15)22-27-29-30(28-22)14-20(32)31(17-10-8-16(25)9-11-17)21(18-6-5-13-34-18)23(33)26-24(2,3)4/h5-13,21H,14H2,1-4H3,(H,26,33)
InChIKeyRFTMGHUHMQJRFQ-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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Related Compounds

2-((2-Methoxy-phenyl)-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-pentanoic acid cyclopentylamide
CID 647713
N-(tert-Butylcarbamoyl-methyl)-N-(2-methoxy-phenyl)-2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetamide
CID 648211
2-Fluoro-N-[2-(2-{[(furan-2-ylmethyl)-carbamoyl]-methyl}-2H-tetrazol-5-yl)-phenyl]-benzamide
CID 648374
N-tert-Butyl-2-((2-fluoro-phenyl)-{2-[5-(4-fluoro-phenyl)-tetrazol-2-yl]-acetyl}-amino)-2-furan-2-yl-acetamide
CID 649792
N-(3-Chloro-4-fluoro-phenyl)-2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-N-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-acetamide
CID 651258
N-tert-Butyl-2-((3-fluoro-phenyl)-{2-[5-(4-fluoro-phenyl)-tetrazol-2-yl]-acetyl}-amino)-2-furan-2-yl-acetamide
CID 653521
N-Cyclopentyl-2-furan-2-yl-2-({2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-phenyl-amino)-acetamide
CID 655204
N-[4-(2-{[(Furan-2-ylmethyl)-carbamoyl]-methyl}-2H-tetrazol-5-yl)-phenyl]-2-methoxy-benzamide
CID 1452563
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
2-(2-furanyl)-2-[(4-methoxyphenyl)methyl-[2-[5-(5-methyl-2-furanyl)-2-tetrazolyl]-1-oxoethyl]amino]-N-(2-oxolanylmethyl)acetamide
CID 3175037
2-Furan-2-yl-2-(furan-2-ylmethyl-{2-[5-(4-methoxy-phenyl)-tetrazol-2-yl]-acetyl}-amino)-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 3175044
2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(3-hydroxypropyl)amino]-2-(furan-2-yl)-N-(3-methylbutyl)acetamide
CID 3179612

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-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-(4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(furan-2-yl)acetamide (CID 3179107) is N-tert-butyl-2-(4-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-(4-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-(4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(furan-2-yl)acetamide is Cc1ccc(-c2nnn(CC(=O)N(c3ccc(F)cc3)C(C(=O)NC(C)(C)C)c3ccco3)n2)o1.
What is the InChIKey of N-tert-butyl-2-(4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(furan-2-yl)acetamide?
The InChIKey is RFTMGHUHMQJRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O4/c1-15-7-12-19(35-15)22-27-29-30(28-22)14-20(32)31(17-10-8-16(25)9-11-17)21(18-6-5-13-34-18)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-(4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(furan-2-yl)acetamide?
N-tert-butyl-2-(4-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-(4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(furan-2-yl)acetamide is sourced from PubChem (CID 3179107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).