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

C19H14FN5OS — CID 46565137

IUPACN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(tetrazol-1-yl)benzamide
SMILESO=C(NC(c1ccc(F)cc1)c1cccs1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C19H14FN5OS/c20-15-8-6-13(7-9-15)18(17-5-2-10-27-17)22-19(26)14-3-1-4-16(11-14)25-12-21-23-24-25/h1-12,18H,(H,22,26)
InChIKeyQEEUIVOWAXQATK-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.38
Rot. Bonds5

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

N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(tetrazol-1-yl)benzamide (PubChem CID 46565137) has the molecular formula C19H14FN5OS and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(tetrazol-1-yl)benzamide
PubChem CID46565137
Molecular FormulaC19H14FN5OS
Molecular Weight379.42 g/mol
Exact Mass379.09
IUPAC NameN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(tetrazol-1-yl)benzamide
SMILESO=C(NC(c1ccc(F)cc1)c1cccs1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C19H14FN5OS/c20-15-8-6-13(7-9-15)18(17-5-2-10-27-17)22-19(26)14-3-1-4-16(11-14)25-12-21-23-24-25/h1-12,18H,(H,22,26)
InChIKeyQEEUIVOWAXQATK-UHFFFAOYSA-N
XLogP3.38
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]-3-(tetrazol-1-yl)benzamide
CID 30406600
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 17438634
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46565128
2-(dimethylamino)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide
CID 94161744
N-butan-2-yl-3-(tetrazol-1-yl)benzamide
CID 42651210
N-(dicyclopropylmethyl)-3-(tetrazol-1-yl)benzamide
CID 25492900
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 46566179
3,5-difluoro-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8854012
N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(tetrazol-1-yl)benzamide
CID 51969392
4-(difluoromethoxy)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 43021916
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-methylsulfonylbenzamide
CID 46566188
N-(1-methoxypropan-2-yl)-3-(tetrazol-1-yl)benzamide
CID 47005557

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(tetrazol-1-yl)benzamide (CID 46565137) is N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(tetrazol-1-yl)benzamide is O=C(NC(c1ccc(F)cc1)c1cccs1)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(tetrazol-1-yl)benzamide?
The InChIKey is QEEUIVOWAXQATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5OS/c20-15-8-6-13(7-9-15)18(17-5-2-10-27-17)22-19(26)14-3-1-4-16(11-14)25-12-21-23-24-25/h1-12,18H,(H,22,26).
What are the key properties of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(tetrazol-1-yl)benzamide?
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(tetrazol-1-yl)benzamide has a molecular weight of 379.42 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 46565137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).