N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(2-methoxyphenyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide

C23H21FN6O3S — CID 1143934

IUPACN-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(2-methoxyphenyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
SMILESCOc1ccccc1N(CC(=O)NCc1ccc(F)cc1)C(=O)Cn1nnc(-c2cccs2)n1
InChIInChI=1S/C23H21FN6O3S/c1-33-19-6-3-2-5-18(19)29(14-21(31)25-13-16-8-10-17(24)11-9-16)22(32)15-30-27-23(26-28-30)20-7-4-12-34-20/h2-12H,13-15H2,1H3,(H,25,31)
InChIKeyCLGYYOPFFBFMNP-UHFFFAOYSA-N
MW480.53 g/mol
LogP2.90
Rot. Bonds9

About N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(2-methoxyphenyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide

N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(2-methoxyphenyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide (PubChem CID 1143934) has the molecular formula C23H21FN6O3S and a molecular weight of 480.53 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(2-methoxyphenyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(2-methoxyphenyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
PubChem CID1143934
Molecular FormulaC23H21FN6O3S
Molecular Weight480.53 g/mol
Exact Mass480.14
IUPAC NameN-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(2-methoxyphenyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
SMILESCOc1ccccc1N(CC(=O)NCc1ccc(F)cc1)C(=O)Cn1nnc(-c2cccs2)n1
InChIInChI=1S/C23H21FN6O3S/c1-33-19-6-3-2-5-18(19)29(14-21(31)25-13-16-8-10-17(24)11-9-16)22(32)15-30-27-23(26-28-30)20-7-4-12-34-20/h2-12H,13-15H2,1H3,(H,25,31)
InChIKeyCLGYYOPFFBFMNP-UHFFFAOYSA-N
XLogP2.90
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.53
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(2-methoxyphenyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The IUPAC name of N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(2-methoxyphenyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide (CID 1143934) is N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(2-methoxyphenyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(2-methoxyphenyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The canonical SMILES for N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(2-methoxyphenyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide is COc1ccccc1N(CC(=O)NCc1ccc(F)cc1)C(=O)Cn1nnc(-c2cccs2)n1.
What is the InChIKey of N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(2-methoxyphenyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The InChIKey is CLGYYOPFFBFMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O3S/c1-33-19-6-3-2-5-18(19)29(14-21(31)25-13-16-8-10-17(24)11-9-16)22(32)15-30-27-23(26-28-30)20-7-4-12-34-20/h2-12H,13-15H2,1H3,(H,25,31).
What are the key properties of N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(2-methoxyphenyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(2-methoxyphenyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide has a molecular weight of 480.53 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(2-methoxyphenyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide is sourced from PubChem (CID 1143934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).