N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]benzamide

C22H19ClN6O3S — CID 17441530

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]benzamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1ccccc1NC(=O)Cn1nnc(-c2ccsc2)n1
InChIInChI=1S/C22H19ClN6O3S/c1-13-9-18(19(32-2)10-16(13)23)25-22(31)15-5-3-4-6-17(15)24-20(30)11-29-27-21(26-28-29)14-7-8-33-12-14/h3-10,12H,11H2,1-2H3,(H,24,30)(H,25,31)
InChIKeyWIQKGTWVLARHMW-UHFFFAOYSA-N
MW482.95 g/mol
LogP4.26
Rot. Bonds7

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]benzamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]benzamide (PubChem CID 17441530) has the molecular formula C22H19ClN6O3S and a molecular weight of 482.95 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]benzamide
PubChem CID17441530
Molecular FormulaC22H19ClN6O3S
Molecular Weight482.95 g/mol
Exact Mass482.09
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]benzamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1ccccc1NC(=O)Cn1nnc(-c2ccsc2)n1
InChIInChI=1S/C22H19ClN6O3S/c1-13-9-18(19(32-2)10-16(13)23)25-22(31)15-5-3-4-6-17(15)24-20(30)11-29-27-21(26-28-29)14-7-8-33-12-14/h3-10,12H,11H2,1-2H3,(H,24,30)(H,25,31)
InChIKeyWIQKGTWVLARHMW-UHFFFAOYSA-N
XLogP4.26
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.95
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]benzamide with MolForge

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9127998
N-(3-chloro-2-methylphenyl)-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide
CID 1164687
N-(2-benzylphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9128153
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)benzamide
CID 60680092
N-(2,3-dimethylphenyl)-2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]acetamide
CID 9128261
N-methoxy-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 60709492
N-(4-phenoxyphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9128090
N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9128298
N-(3-chloro-4-methoxyphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7634847
N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-methylbenzamide
CID 1463772
N-cyclopropyl-2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]benzamide
CID 27995227
3-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-N-(2-methoxyphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 44640299

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]benzamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]benzamide (CID 17441530) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]benzamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]benzamide is COc1cc(Cl)c(C)cc1NC(=O)c1ccccc1NC(=O)Cn1nnc(-c2ccsc2)n1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]benzamide?
The InChIKey is WIQKGTWVLARHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN6O3S/c1-13-9-18(19(32-2)10-16(13)23)25-22(31)15-5-3-4-6-17(15)24-20(30)11-29-27-21(26-28-29)14-7-8-33-12-14/h3-10,12H,11H2,1-2H3,(H,24,30)(H,25,31).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]benzamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]benzamide has a molecular weight of 482.95 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]benzamide is sourced from PubChem (CID 17441530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).