5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-(2-thiophen-2-ylethyl)benzamide

C15H14ClN5O2S — CID 87000680

IUPAC5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-(2-thiophen-2-ylethyl)benzamide
SMILESCOc1cc(-n2cnnn2)c(Cl)cc1C(=O)NCCc1cccs1
InChIInChI=1S/C15H14ClN5O2S/c1-23-14-8-13(21-9-18-19-20-21)12(16)7-11(14)15(22)17-5-4-10-3-2-6-24-10/h2-3,6-9H,4-5H2,1H3,(H,17,22)
InChIKeyVDMHDGOKLUDUIC-UHFFFAOYSA-N
MW363.83 g/mol
LogP2.36
Rot. Bonds6

About 5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-(2-thiophen-2-ylethyl)benzamide

5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 87000680) has the molecular formula C15H14ClN5O2S and a molecular weight of 363.83 g/mol. Its IUPAC name is 5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID87000680
Molecular FormulaC15H14ClN5O2S
Molecular Weight363.83 g/mol
Exact Mass363.06
IUPAC Name5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-(2-thiophen-2-ylethyl)benzamide
SMILESCOc1cc(-n2cnnn2)c(Cl)cc1C(=O)NCCc1cccs1
InChIInChI=1S/C15H14ClN5O2S/c1-23-14-8-13(21-9-18-19-20-21)12(16)7-11(14)15(22)17-5-4-10-3-2-6-24-10/h2-3,6-9H,4-5H2,1H3,(H,17,22)
InChIKeyVDMHDGOKLUDUIC-UHFFFAOYSA-N
XLogP2.36
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.83
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(1-benzothiophen-3-yl)ethyl]-5-chloro-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 87005767
2,4,5-trimethoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 32969473
5-chloro-2-methoxy-N-[2-[(2S)-oxolan-2-yl]ethyl]-4-(tetrazol-1-yl)benzamide
CID 52512620
5-chloro-2-methoxy-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-4-(tetrazol-1-yl)benzamide
CID 55850404
5-chloro-2-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 17403894
5-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 87002077
5-chloro-N-(4-chlorophenyl)-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 87000459
5-chloro-N-[(3-chlorophenyl)methyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide
CID 87000624
5-chloro-2-methoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-4-(tetrazol-1-yl)benzamide
CID 55773010
4-methoxy-1-methyl-6-oxo-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 91813994
5-chloro-2-methoxy-N-[3-(phenylcarbamoylamino)phenyl]-4-(tetrazol-1-yl)benzamide
CID 55776312
5-chloro-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 55892914

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-(2-thiophen-2-ylethyl)benzamide (CID 87000680) is 5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-(2-thiophen-2-ylethyl)benzamide is COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NCCc1cccs1.
What is the InChIKey of 5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is VDMHDGOKLUDUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O2S/c1-23-14-8-13(21-9-18-19-20-21)12(16)7-11(14)15(22)17-5-4-10-3-2-6-24-10/h2-3,6-9H,4-5H2,1H3,(H,17,22).
What are the key properties of 5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-(2-thiophen-2-ylethyl)benzamide?
5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 363.83 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 87000680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).