N-(2,1,3-benzothiadiazol-5-ylmethyl)-3-[3-[(4-methoxyphenyl)methyl]-2-methyl-1H-tetrazol-5-yl]benzamide

C24H23N7O2S — CID 142860009

IUPACN-(2,1,3-benzothiadiazol-5-ylmethyl)-3-[3-[(4-methoxyphenyl)methyl]-2-methyl-1H-tetrazol-5-yl]benzamide
SMILESCOc1ccc(CN2N=C(c3cccc(C(=O)NCc4ccc5nsnc5c4)c3)NN2C)cc1
InChIInChI=1S/C24H23N7O2S/c1-30-26-23(27-31(30)15-16-6-9-20(33-2)10-7-16)18-4-3-5-19(13-18)24(32)25-14-17-8-11-21-22(12-17)29-34-28-21/h3-13H,14-15H2,1-2H3,(H,25,32)(H,26,27)
InChIKeyUXDKDNGCDKSSQV-UHFFFAOYSA-N
MW473.56 g/mol
LogP3.16
Rot. Bonds7

About N-(2,1,3-benzothiadiazol-5-ylmethyl)-3-[3-[(4-methoxyphenyl)methyl]-2-methyl-1H-tetrazol-5-yl]benzamide

N-(2,1,3-benzothiadiazol-5-ylmethyl)-3-[3-[(4-methoxyphenyl)methyl]-2-methyl-1H-tetrazol-5-yl]benzamide (PubChem CID 142860009) has the molecular formula C24H23N7O2S and a molecular weight of 473.56 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-5-ylmethyl)-3-[3-[(4-methoxyphenyl)methyl]-2-methyl-1H-tetrazol-5-yl]benzamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-5-ylmethyl)-3-[3-[(4-methoxyphenyl)methyl]-2-methyl-1H-tetrazol-5-yl]benzamide
PubChem CID142860009
Molecular FormulaC24H23N7O2S
Molecular Weight473.56 g/mol
Exact Mass473.16
IUPAC NameN-(2,1,3-benzothiadiazol-5-ylmethyl)-3-[3-[(4-methoxyphenyl)methyl]-2-methyl-1H-tetrazol-5-yl]benzamide
SMILESCOc1ccc(CN2N=C(c3cccc(C(=O)NCc4ccc5nsnc5c4)c3)NN2C)cc1
InChIInChI=1S/C24H23N7O2S/c1-30-26-23(27-31(30)15-16-6-9-20(33-2)10-7-16)18-4-3-5-19(13-18)24(32)25-14-17-8-11-21-22(12-17)29-34-28-21/h3-13H,14-15H2,1-2H3,(H,25,32)(H,26,27)
InChIKeyUXDKDNGCDKSSQV-UHFFFAOYSA-N
XLogP3.16
TPSA94.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.56
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

(1S)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 99927183
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
N-[(4-methoxyphenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 20973291
3-methoxy-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide
CID 110785783
4-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4118576
N-[(4-methoxyphenyl)methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide
CID 170951274
N-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-4-methoxybenzamide
CID 91498180
N-[(4-fluorophenyl)methyl]-3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116852
3-[6-(3-methoxyphenoxy)pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 53021261
3,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 789214
3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-N-[(3-methylphenyl)methyl]benzamide
CID 53021217
N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 74237063

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-5-ylmethyl)-3-[3-[(4-methoxyphenyl)methyl]-2-methyl-1H-tetrazol-5-yl]benzamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-5-ylmethyl)-3-[3-[(4-methoxyphenyl)methyl]-2-methyl-1H-tetrazol-5-yl]benzamide (CID 142860009) is N-(2,1,3-benzothiadiazol-5-ylmethyl)-3-[3-[(4-methoxyphenyl)methyl]-2-methyl-1H-tetrazol-5-yl]benzamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-5-ylmethyl)-3-[3-[(4-methoxyphenyl)methyl]-2-methyl-1H-tetrazol-5-yl]benzamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-5-ylmethyl)-3-[3-[(4-methoxyphenyl)methyl]-2-methyl-1H-tetrazol-5-yl]benzamide is COc1ccc(CN2N=C(c3cccc(C(=O)NCc4ccc5nsnc5c4)c3)NN2C)cc1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-5-ylmethyl)-3-[3-[(4-methoxyphenyl)methyl]-2-methyl-1H-tetrazol-5-yl]benzamide?
The InChIKey is UXDKDNGCDKSSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2S/c1-30-26-23(27-31(30)15-16-6-9-20(33-2)10-7-16)18-4-3-5-19(13-18)24(32)25-14-17-8-11-21-22(12-17)29-34-28-21/h3-13H,14-15H2,1-2H3,(H,25,32)(H,26,27).
What are the key properties of N-(2,1,3-benzothiadiazol-5-ylmethyl)-3-[3-[(4-methoxyphenyl)methyl]-2-methyl-1H-tetrazol-5-yl]benzamide?
N-(2,1,3-benzothiadiazol-5-ylmethyl)-3-[3-[(4-methoxyphenyl)methyl]-2-methyl-1H-tetrazol-5-yl]benzamide has a molecular weight of 473.56 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-5-ylmethyl)-3-[3-[(4-methoxyphenyl)methyl]-2-methyl-1H-tetrazol-5-yl]benzamide is sourced from PubChem (CID 142860009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).