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

C25H25FN6O4 — CID 654931

IUPACN-cyclopentyl-2-(2-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(furan-2-yl)acetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(c3ccccc3F)C(C(=O)NC3CCCC3)c3ccco3)n2)o1
InChIInChI=1S/C25H25FN6O4/c1-16-12-13-21(36-16)24-28-30-31(29-24)15-22(33)32(19-10-5-4-9-18(19)26)23(20-11-6-14-35-20)25(34)27-17-7-2-3-8-17/h4-6,9-14,17,23H,2-3,7-8,15H2,1H3,(H,27,34)
InChIKeyBSUJTCRUKJEMHV-UHFFFAOYSA-N
MW492.51 g/mol
LogP3.81
Rot. Bonds8

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

N-cyclopentyl-2-(2-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(furan-2-yl)acetamide (PubChem CID 654931) has the molecular formula C25H25FN6O4 and a molecular weight of 492.51 g/mol. Its IUPAC name is N-cyclopentyl-2-(2-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(furan-2-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(2-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(furan-2-yl)acetamide
PubChem CID654931
Molecular FormulaC25H25FN6O4
Molecular Weight492.51 g/mol
Exact Mass492.19
IUPAC NameN-cyclopentyl-2-(2-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(furan-2-yl)acetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(c3ccccc3F)C(C(=O)NC3CCCC3)c3ccco3)n2)o1
InChIInChI=1S/C25H25FN6O4/c1-16-12-13-21(36-16)24-28-30-31(29-24)15-22(33)32(19-10-5-4-9-18(19)26)23(20-11-6-14-35-20)25(34)27-17-7-2-3-8-17/h4-6,9-14,17,23H,2-3,7-8,15H2,1H3,(H,27,34)
InChIKeyBSUJTCRUKJEMHV-UHFFFAOYSA-N
XLogP3.81
TPSA119.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.51
LogP ≤ 53.81
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
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-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
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-(3-Chloro-4-fluoro-phenyl)-N-cyclopentylcarbamoylmethyl-2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetamide
CID 3179786
N-Cyclopentylcarbamoylmethyl-N-(4-methoxy-phenyl)-2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetamide
CID 3179795

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(2-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(furan-2-yl)acetamide?
The IUPAC name of N-cyclopentyl-2-(2-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(furan-2-yl)acetamide (CID 654931) is N-cyclopentyl-2-(2-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-cyclopentyl-2-(2-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(furan-2-yl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(2-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(furan-2-yl)acetamide is Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3F)C(C(=O)NC3CCCC3)c3ccco3)n2)o1.
What is the InChIKey of N-cyclopentyl-2-(2-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(furan-2-yl)acetamide?
The InChIKey is BSUJTCRUKJEMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O4/c1-16-12-13-21(36-16)24-28-30-31(29-24)15-22(33)32(19-10-5-4-9-18(19)26)23(20-11-6-14-35-20)25(34)27-17-7-2-3-8-17/h4-6,9-14,17,23H,2-3,7-8,15H2,1H3,(H,27,34).
What are the key properties of N-cyclopentyl-2-(2-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(furan-2-yl)acetamide?
N-cyclopentyl-2-(2-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(furan-2-yl)acetamide has a molecular weight of 492.51 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(2-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(furan-2-yl)acetamide is sourced from PubChem (CID 654931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).