2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide

C20H16ClN5OS — CID 8685781

IUPAC2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
SMILESO=C(Cn1nnc(-c2ccccc2Cl)n1)N[C@@H](c1ccccc1)c1cccs1
InChIInChI=1S/C20H16ClN5OS/c21-16-10-5-4-9-15(16)20-23-25-26(24-20)13-18(27)22-19(17-11-6-12-28-17)14-7-2-1-3-8-14/h1-12,19H,13H2,(H,22,27)/t19-/m0/s1
InChIKeyQQXNODKOQVMYLU-IBGZPJMESA-N
MW409.90 g/mol
LogP3.96
Rot. Bonds6

About 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide

2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide (PubChem CID 8685781) has the molecular formula C20H16ClN5OS and a molecular weight of 409.90 g/mol. Its IUPAC name is 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
PubChem CID8685781
Molecular FormulaC20H16ClN5OS
Molecular Weight409.90 g/mol
Exact Mass409.08
IUPAC Name2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
SMILESO=C(Cn1nnc(-c2ccccc2Cl)n1)N[C@@H](c1ccccc1)c1cccs1
InChIInChI=1S/C20H16ClN5OS/c21-16-10-5-4-9-15(16)20-23-25-26(24-20)13-18(27)22-19(17-11-6-12-28-17)14-7-2-1-3-8-14/h1-12,19H,13H2,(H,22,27)/t19-/m0/s1
InChIKeyQQXNODKOQVMYLU-IBGZPJMESA-N
XLogP3.96
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.90
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 46607871
N-[(2S)-butan-2-yl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide
CID 7634924
2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 8685269
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 4810024
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 9462455
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 1454654
2-[5-(2-chlorophenyl)tetrazol-2-yl]acetate
CID 6922149
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[1-(4-methylphenyl)propyl]acetamide
CID 4804867
3-amino-5-[5-(2-chlorophenyl)tetrazol-2-yl]-4-oxopentanoic acid
CID 139722485
N-[(1R)-1-phenylethyl]-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7589016
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543
N-(3-chloro-4-cyanophenyl)-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide
CID 7634919

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide (CID 8685781) is 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide is O=C(Cn1nnc(-c2ccccc2Cl)n1)N[C@@H](c1ccccc1)c1cccs1.
What is the InChIKey of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide?
The InChIKey is QQXNODKOQVMYLU-IBGZPJMESA-N. The full InChI is InChI=1S/C20H16ClN5OS/c21-16-10-5-4-9-15(16)20-23-25-26(24-20)13-18(27)22-19(17-11-6-12-28-17)14-7-2-1-3-8-14/h1-12,19H,13H2,(H,22,27)/t19-/m0/s1.
What are the key properties of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide?
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide has a molecular weight of 409.90 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 8685781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).