N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide

C20H16FN5O2S — CID 17438634

IUPACN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESO=C(COc1cccc(-n2cnnn2)c1)NC(c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C20H16FN5O2S/c21-15-8-6-14(7-9-15)20(18-5-2-10-29-18)23-19(27)12-28-17-4-1-3-16(11-17)26-13-22-24-25-26/h1-11,13,20H,12H2,(H,23,27)
InChIKeyKXEIDXJGRZALGG-UHFFFAOYSA-N
MW409.45 g/mol
LogP3.15
Rot. Bonds7

About N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide

N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide (PubChem CID 17438634) has the molecular formula C20H16FN5O2S and a molecular weight of 409.45 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
PubChem CID17438634
Molecular FormulaC20H16FN5O2S
Molecular Weight409.45 g/mol
Exact Mass409.10
IUPAC NameN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESO=C(COc1cccc(-n2cnnn2)c1)NC(c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C20H16FN5O2S/c21-15-8-6-14(7-9-15)20(18-5-2-10-29-18)23-19(27)12-28-17-4-1-3-16(11-17)26-13-22-24-25-26/h1-11,13,20H,12H2,(H,23,27)
InChIKeyKXEIDXJGRZALGG-UHFFFAOYSA-N
XLogP3.15
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(tetrazol-1-yl)benzamide
CID 46565137
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(3-methylphenoxy)acetamide
CID 17492974
2-(3,5-dimethylphenoxy)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 41442393
2-(3-methylphenoxy)-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 8854678
N-[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]-3-(tetrazol-1-yl)benzamide
CID 30406600
2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 1140135
2-phenoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8820676
[2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] 3-(difluoromethoxy)benzoate
CID 46613600
N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7769152
N-(3-chloro-4-fluorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 2709063
[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] 3-methylbut-2-enoate
CID 9290917
N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 27878401

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The IUPAC name of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide (CID 17438634) is N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide is O=C(COc1cccc(-n2cnnn2)c1)NC(c1ccc(F)cc1)c1cccs1.
What is the InChIKey of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The InChIKey is KXEIDXJGRZALGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O2S/c21-15-8-6-14(7-9-15)20(18-5-2-10-29-18)23-19(27)12-28-17-4-1-3-16(11-17)26-13-22-24-25-26/h1-11,13,20H,12H2,(H,23,27).
What are the key properties of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide has a molecular weight of 409.45 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 17438634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).