2,6-difluoro-N-[4-[2-methyl-5-(1-methyltetrazol-5-yl)thiophen-3-yl]phenyl]benzamide

C20H15F2N5OS — CID 59334276

IUPAC2,6-difluoro-N-[4-[2-methyl-5-(1-methyltetrazol-5-yl)thiophen-3-yl]phenyl]benzamide
SMILESCc1sc(-c2nnnn2C)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C20H15F2N5OS/c1-11-14(10-17(29-11)19-24-25-26-27(19)2)12-6-8-13(9-7-12)23-20(28)18-15(21)4-3-5-16(18)22/h3-10H,1-2H3,(H,23,28)
InChIKeyPJXCXZIPCRWNOQ-UHFFFAOYSA-N
MW411.44 g/mol
LogP4.44
Rot. Bonds4

About 2,6-difluoro-N-[4-[2-methyl-5-(1-methyltetrazol-5-yl)thiophen-3-yl]phenyl]benzamide

2,6-difluoro-N-[4-[2-methyl-5-(1-methyltetrazol-5-yl)thiophen-3-yl]phenyl]benzamide (PubChem CID 59334276) has the molecular formula C20H15F2N5OS and a molecular weight of 411.44 g/mol. Its IUPAC name is 2,6-difluoro-N-[4-[2-methyl-5-(1-methyltetrazol-5-yl)thiophen-3-yl]phenyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[4-[2-methyl-5-(1-methyltetrazol-5-yl)thiophen-3-yl]phenyl]benzamide
PubChem CID59334276
Molecular FormulaC20H15F2N5OS
Molecular Weight411.44 g/mol
Exact Mass411.10
IUPAC Name2,6-difluoro-N-[4-[2-methyl-5-(1-methyltetrazol-5-yl)thiophen-3-yl]phenyl]benzamide
SMILESCc1sc(-c2nnnn2C)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C20H15F2N5OS/c1-11-14(10-17(29-11)19-24-25-26-27(19)2)12-6-8-13(9-7-12)23-20(28)18-15(21)4-3-5-16(18)22/h3-10H,1-2H3,(H,23,28)
InChIKeyPJXCXZIPCRWNOQ-UHFFFAOYSA-N
XLogP4.44
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)thiophen-3-yl]phenyl]benzamide
CID 24875603
2,6-difluoro-N-[4-[3-methyl-5-(3-methylimidazol-4-yl)thiophen-2-yl]phenyl]benzamide
CID 25177208
2,6-difluoro-N-(4-methylphenyl)benzamide;ethane
CID 143234800
2-fluoro-6-methyl-N-[5-[2-methyl-5-(1-methyltetrazol-5-yl)phenyl]pyrazin-2-yl]benzamide
CID 70323101
N-[4-(2,5-dichlorophenyl)phenyl]-2,6-difluorobenzamide
CID 11222663
2,6-difluoro-N-[5-[2-methyl-5-(3-methylimidazol-4-yl)thiophen-3-yl]pyrazin-2-yl]benzamide
CID 25177442
2-fluoro-6-methyl-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]benzamide
CID 24876400
3-(2-chloro-6-fluorophenyl)-5-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]-1,2-oxazole-4-carboxamide
CID 41360360
2,6-difluoro-N-[4-(4-propan-2-yl-3-pyridinyl)phenyl]benzamide
CID 59517951
[(E)-2-methylbut-1-enyl] 4-[4-[(2,6-difluorobenzoyl)amino]phenyl]-5-methylthiophene-2-carboximidate
CID 143757478
2,6-difluoro-N-[4-[5-methyl-2-(1,3-oxazol-5-yl)-1,3-thiazol-4-yl]phenyl]benzamide
CID 45280753
N-[4-(5-ethyl-3-methyl-2-oxo-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide
CID 86764080

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[4-[2-methyl-5-(1-methyltetrazol-5-yl)thiophen-3-yl]phenyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[4-[2-methyl-5-(1-methyltetrazol-5-yl)thiophen-3-yl]phenyl]benzamide (CID 59334276) is 2,6-difluoro-N-[4-[2-methyl-5-(1-methyltetrazol-5-yl)thiophen-3-yl]phenyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[4-[2-methyl-5-(1-methyltetrazol-5-yl)thiophen-3-yl]phenyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[4-[2-methyl-5-(1-methyltetrazol-5-yl)thiophen-3-yl]phenyl]benzamide is Cc1sc(-c2nnnn2C)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1.
What is the InChIKey of 2,6-difluoro-N-[4-[2-methyl-5-(1-methyltetrazol-5-yl)thiophen-3-yl]phenyl]benzamide?
The InChIKey is PJXCXZIPCRWNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N5OS/c1-11-14(10-17(29-11)19-24-25-26-27(19)2)12-6-8-13(9-7-12)23-20(28)18-15(21)4-3-5-16(18)22/h3-10H,1-2H3,(H,23,28).
What are the key properties of 2,6-difluoro-N-[4-[2-methyl-5-(1-methyltetrazol-5-yl)thiophen-3-yl]phenyl]benzamide?
2,6-difluoro-N-[4-[2-methyl-5-(1-methyltetrazol-5-yl)thiophen-3-yl]phenyl]benzamide has a molecular weight of 411.44 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[4-[2-methyl-5-(1-methyltetrazol-5-yl)thiophen-3-yl]phenyl]benzamide is sourced from PubChem (CID 59334276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).