N-[2-(1-benzothiophen-3-yl)ethyl]-5-chloro-2-methoxy-4-(tetrazol-1-yl)benzamide

C19H16ClN5O2S — CID 87005767

IUPACN-[2-(1-benzothiophen-3-yl)ethyl]-5-chloro-2-methoxy-4-(tetrazol-1-yl)benzamide
SMILESCOc1cc(-n2cnnn2)c(Cl)cc1C(=O)NCCc1csc2ccccc12
InChIInChI=1S/C19H16ClN5O2S/c1-27-17-9-16(25-11-22-23-24-25)15(20)8-14(17)19(26)21-7-6-12-10-28-18-5-3-2-4-13(12)18/h2-5,8-11H,6-7H2,1H3,(H,21,26)
InChIKeyWKTXFWYREXJCRR-UHFFFAOYSA-N
MW413.89 g/mol
LogP3.51
Rot. Bonds6

About N-[2-(1-benzothiophen-3-yl)ethyl]-5-chloro-2-methoxy-4-(tetrazol-1-yl)benzamide

N-[2-(1-benzothiophen-3-yl)ethyl]-5-chloro-2-methoxy-4-(tetrazol-1-yl)benzamide (PubChem CID 87005767) has the molecular formula C19H16ClN5O2S and a molecular weight of 413.89 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-3-yl)ethyl]-5-chloro-2-methoxy-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-3-yl)ethyl]-5-chloro-2-methoxy-4-(tetrazol-1-yl)benzamide
PubChem CID87005767
Molecular FormulaC19H16ClN5O2S
Molecular Weight413.89 g/mol
Exact Mass413.07
IUPAC NameN-[2-(1-benzothiophen-3-yl)ethyl]-5-chloro-2-methoxy-4-(tetrazol-1-yl)benzamide
SMILESCOc1cc(-n2cnnn2)c(Cl)cc1C(=O)NCCc1csc2ccccc12
InChIInChI=1S/C19H16ClN5O2S/c1-27-17-9-16(25-11-22-23-24-25)15(20)8-14(17)19(26)21-7-6-12-10-28-18-5-3-2-4-13(12)18/h2-5,8-11H,6-7H2,1H3,(H,21,26)
InChIKeyWKTXFWYREXJCRR-UHFFFAOYSA-N
XLogP3.51
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.89
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-(2-thiophen-2-ylethyl)benzamide
CID 87000680
5-chloro-2-methoxy-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-4-(tetrazol-1-yl)benzamide
CID 55850404
5-chloro-N-[[2-(methanesulfonamido)phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 55776331
N-[2-(1-benzothiophen-3-yl)ethyl]-2-hydroxy-3-methoxybenzamide
CID 87005563
N-[2-(2-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 51151935
5-chloro-2-methoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-4-(tetrazol-1-yl)benzamide
CID 55773010
5-chloro-2-methoxy-N-[2-[(2R)-oxolan-2-yl]ethyl]-4-(tetrazol-1-yl)benzamide
CID 52512621
N-[(4-bromo-3-fluorophenyl)methyl]-5-chloro-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 86868037
5-chloro-2-methoxy-N-[2-[(2S)-oxolan-2-yl]ethyl]-4-(tetrazol-1-yl)benzamide
CID 52512620
5-chloro-N-(4-chlorophenyl)-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 87000459
5-chloro-2-methoxy-N-[3-(phenylcarbamoylamino)phenyl]-4-(tetrazol-1-yl)benzamide
CID 55776312
5-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 87002077

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-3-yl)ethyl]-5-chloro-2-methoxy-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[2-(1-benzothiophen-3-yl)ethyl]-5-chloro-2-methoxy-4-(tetrazol-1-yl)benzamide (CID 87005767) is N-[2-(1-benzothiophen-3-yl)ethyl]-5-chloro-2-methoxy-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[2-(1-benzothiophen-3-yl)ethyl]-5-chloro-2-methoxy-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[2-(1-benzothiophen-3-yl)ethyl]-5-chloro-2-methoxy-4-(tetrazol-1-yl)benzamide is COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NCCc1csc2ccccc12.
What is the InChIKey of N-[2-(1-benzothiophen-3-yl)ethyl]-5-chloro-2-methoxy-4-(tetrazol-1-yl)benzamide?
The InChIKey is WKTXFWYREXJCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O2S/c1-27-17-9-16(25-11-22-23-24-25)15(20)8-14(17)19(26)21-7-6-12-10-28-18-5-3-2-4-13(12)18/h2-5,8-11H,6-7H2,1H3,(H,21,26).
What are the key properties of N-[2-(1-benzothiophen-3-yl)ethyl]-5-chloro-2-methoxy-4-(tetrazol-1-yl)benzamide?
N-[2-(1-benzothiophen-3-yl)ethyl]-5-chloro-2-methoxy-4-(tetrazol-1-yl)benzamide has a molecular weight of 413.89 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzothiophen-3-yl)ethyl]-5-chloro-2-methoxy-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 87005767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).