N-[2-[5-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]thiophen-2-yl]ethyl]acetamide

C17H16ClN5O2S — CID 26964355

IUPACN-[2-[5-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]thiophen-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)s1
InChIInChI=1S/C17H16ClN5O2S/c1-11(24)19-9-8-14-6-7-16(26-14)15(25)10-23-21-17(20-22-23)12-2-4-13(18)5-3-12/h2-7H,8-10H2,1H3,(H,19,24)
InChIKeyIGLJTAJZUSCQPH-UHFFFAOYSA-N
MW389.87 g/mol
LogP2.62
Rot. Bonds7

About N-[2-[5-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]thiophen-2-yl]ethyl]acetamide

N-[2-[5-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]thiophen-2-yl]ethyl]acetamide (PubChem CID 26964355) has the molecular formula C17H16ClN5O2S and a molecular weight of 389.87 g/mol. Its IUPAC name is N-[2-[5-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]thiophen-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[5-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]thiophen-2-yl]ethyl]acetamide
PubChem CID26964355
Molecular FormulaC17H16ClN5O2S
Molecular Weight389.87 g/mol
Exact Mass389.07
IUPAC NameN-[2-[5-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]thiophen-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)s1
InChIInChI=1S/C17H16ClN5O2S/c1-11(24)19-9-8-14-6-7-16(26-14)15(25)10-23-21-17(20-22-23)12-2-4-13(18)5-3-12/h2-7H,8-10H2,1H3,(H,19,24)
InChIKeyIGLJTAJZUSCQPH-UHFFFAOYSA-N
XLogP2.62
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.87
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]thiophen-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[5-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]thiophen-2-yl]ethyl]acetamide (CID 26964355) is N-[2-[5-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]thiophen-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[5-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]thiophen-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[5-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]thiophen-2-yl]ethyl]acetamide is CC(=O)NCCc1ccc(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)s1.
What is the InChIKey of N-[2-[5-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]thiophen-2-yl]ethyl]acetamide?
The InChIKey is IGLJTAJZUSCQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O2S/c1-11(24)19-9-8-14-6-7-16(26-14)15(25)10-23-21-17(20-22-23)12-2-4-13(18)5-3-12/h2-7H,8-10H2,1H3,(H,19,24).
What are the key properties of N-[2-[5-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]thiophen-2-yl]ethyl]acetamide?
N-[2-[5-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]thiophen-2-yl]ethyl]acetamide has a molecular weight of 389.87 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]thiophen-2-yl]ethyl]acetamide is sourced from PubChem (CID 26964355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).