N-[2-(cyclohexylamino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide

C22H25FN6O2S — CID 3190161

IUPACN-[2-(cyclohexylamino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
SMILESO=C(CN(Cc1ccccc1F)C(=O)Cn1nnc(-c2cccs2)n1)NC1CCCCC1
InChIInChI=1S/C22H25FN6O2S/c23-18-10-5-4-7-16(18)13-28(14-20(30)24-17-8-2-1-3-9-17)21(31)15-29-26-22(25-27-29)19-11-6-12-32-19/h4-7,10-12,17H,1-3,8-9,13-15H2,(H,24,30)
InChIKeyOSMPXZJXHHVZSY-UHFFFAOYSA-N
MW456.55 g/mol
LogP3.02
Rot. Bonds8

About N-[2-(cyclohexylamino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide

N-[2-(cyclohexylamino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide (PubChem CID 3190161) has the molecular formula C22H25FN6O2S and a molecular weight of 456.55 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
PubChem CID3190161
Molecular FormulaC22H25FN6O2S
Molecular Weight456.55 g/mol
Exact Mass456.17
IUPAC NameN-[2-(cyclohexylamino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
SMILESO=C(CN(Cc1ccccc1F)C(=O)Cn1nnc(-c2cccs2)n1)NC1CCCCC1
InChIInChI=1S/C22H25FN6O2S/c23-18-10-5-4-7-16(18)13-28(14-20(30)24-17-8-2-1-3-9-17)21(31)15-29-26-22(25-27-29)19-11-6-12-32-19/h4-7,10-12,17H,1-3,8-9,13-15H2,(H,24,30)
InChIKeyOSMPXZJXHHVZSY-UHFFFAOYSA-N
XLogP3.02
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide (CID 3190161) is N-[2-(cyclohexylamino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide is O=C(CN(Cc1ccccc1F)C(=O)Cn1nnc(-c2cccs2)n1)NC1CCCCC1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The InChIKey is OSMPXZJXHHVZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O2S/c23-18-10-5-4-7-16(18)13-28(14-20(30)24-17-8-2-1-3-9-17)21(31)15-29-26-22(25-27-29)19-11-6-12-32-19/h4-7,10-12,17H,1-3,8-9,13-15H2,(H,24,30).
What are the key properties of N-[2-(cyclohexylamino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
N-[2-(cyclohexylamino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide has a molecular weight of 456.55 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide is sourced from PubChem (CID 3190161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).