N-(3-chloro-4-methylphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide

C14H12ClN5OS — CID 9127998

IUPACN-(3-chloro-4-methylphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2nnc(-c3ccsc3)n2)cc1Cl
InChIInChI=1S/C14H12ClN5OS/c1-9-2-3-11(6-12(9)15)16-13(21)7-20-18-14(17-19-20)10-4-5-22-8-10/h2-6,8H,7H2,1H3,(H,16,21)
InChIKeyCVCSOVBSBVMYRS-UHFFFAOYSA-N
MW333.80 g/mol
LogP3.00
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide

N-(3-chloro-4-methylphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide (PubChem CID 9127998) has the molecular formula C14H12ClN5OS and a molecular weight of 333.80 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
PubChem CID9127998
Molecular FormulaC14H12ClN5OS
Molecular Weight333.80 g/mol
Exact Mass333.05
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2nnc(-c3ccsc3)n2)cc1Cl
InChIInChI=1S/C14H12ClN5OS/c1-9-2-3-11(6-12(9)15)16-13(21)7-20-18-14(17-19-20)10-4-5-22-8-10/h2-6,8H,7H2,1H3,(H,16,21)
InChIKeyCVCSOVBSBVMYRS-UHFFFAOYSA-N
XLogP3.00
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.80
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]benzoate
CID 9128050
2-(5-thiophen-3-yltetrazol-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 9128049
N-(4-chloro-3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 17014887
N-(4-phenoxyphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9128090
N-(4-fluorophenyl)-2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]acetamide
CID 9128274
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]benzamide
CID 17441530
N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9128298
N-(3,4-dimethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16561616
N-methoxy-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 60709492
N-(2-hydroxyethyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 43416200
N-(3-chloro-4-methylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 26688041
2-(5-thiophen-3-yltetrazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 61216097

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide (CID 9127998) is N-(3-chloro-4-methylphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide is Cc1ccc(NC(=O)Cn2nnc(-c3ccsc3)n2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide?
The InChIKey is CVCSOVBSBVMYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5OS/c1-9-2-3-11(6-12(9)15)16-13(21)7-20-18-14(17-19-20)10-4-5-22-8-10/h2-6,8H,7H2,1H3,(H,16,21).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide?
N-(3-chloro-4-methylphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide has a molecular weight of 333.80 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide is sourced from PubChem (CID 9127998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).