[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate

C17H16ClN5O3S — CID 8543451

IUPAC[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate
SMILESC[C@@H](NC(=O)COC(=O)Cn1nnc(-c2cccs2)n1)c1cccc(Cl)c1
InChIInChI=1S/C17H16ClN5O3S/c1-11(12-4-2-5-13(18)8-12)19-15(24)10-26-16(25)9-23-21-17(20-22-23)14-6-3-7-27-14/h2-8,11H,9-10H2,1H3,(H,19,24)/t11-/m1/s1
InChIKeyYDBRLYBAEWWOFQ-LLVKDONJSA-N
MW405.87 g/mol
LogP2.48
Rot. Bonds7

About [2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate

[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate (PubChem CID 8543451) has the molecular formula C17H16ClN5O3S and a molecular weight of 405.87 g/mol. Its IUPAC name is [2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate.

Molecular Properties

Compound Name[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate
PubChem CID8543451
Molecular FormulaC17H16ClN5O3S
Molecular Weight405.87 g/mol
Exact Mass405.07
IUPAC Name[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate
SMILESC[C@@H](NC(=O)COC(=O)Cn1nnc(-c2cccs2)n1)c1cccc(Cl)c1
InChIInChI=1S/C17H16ClN5O3S/c1-11(12-4-2-5-13(18)8-12)19-15(24)10-26-16(25)9-23-21-17(20-22-23)14-6-3-7-27-14/h2-8,11H,9-10H2,1H3,(H,19,24)/t11-/m1/s1
InChIKeyYDBRLYBAEWWOFQ-LLVKDONJSA-N
XLogP2.48
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.87
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate with MolForge

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Related Compounds

N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7713103
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate
CID 8541436
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate
CID 8541692
2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 7490847
N-(1-hydroxybutan-2-yl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 43393225
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate
CID 8541753
N-(3-propan-2-ylphenyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 78806265
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate
CID 8542475
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 17469446
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 51207708
[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] pyridine-4-carboxylate
CID 7478194
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 1454654

Frequently Asked Questions

What is the IUPAC name of [2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate?
The IUPAC name of [2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate (CID 8543451) is [2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate.
What is the SMILES notation for [2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate?
The canonical SMILES for [2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate is C[C@@H](NC(=O)COC(=O)Cn1nnc(-c2cccs2)n1)c1cccc(Cl)c1.
What is the InChIKey of [2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate?
The InChIKey is YDBRLYBAEWWOFQ-LLVKDONJSA-N. The full InChI is InChI=1S/C17H16ClN5O3S/c1-11(12-4-2-5-13(18)8-12)19-15(24)10-26-16(25)9-23-21-17(20-22-23)14-6-3-7-27-14/h2-8,11H,9-10H2,1H3,(H,19,24)/t11-/m1/s1.
What are the key properties of [2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate?
[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate has a molecular weight of 405.87 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate is sourced from PubChem (CID 8543451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).