N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide

C16H13ClF3N5OS — CID 17446112

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C16H13ClF3N5OS/c1-24(8-12-5-6-13(17)27-12)14(26)9-25-22-15(21-23-25)10-3-2-4-11(7-10)16(18,19)20/h2-7H,8-9H2,1H3
InChIKeyVWNXLUQVALYFTO-UHFFFAOYSA-N
MW415.83 g/mol
LogP3.73
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide

N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide (PubChem CID 17446112) has the molecular formula C16H13ClF3N5OS and a molecular weight of 415.83 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
PubChem CID17446112
Molecular FormulaC16H13ClF3N5OS
Molecular Weight415.83 g/mol
Exact Mass415.05
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C16H13ClF3N5OS/c1-24(8-12-5-6-13(17)27-12)14(26)9-25-22-15(21-23-25)10-3-2-4-11(7-10)16(18,19)20/h2-7H,8-9H2,1H3
InChIKeyVWNXLUQVALYFTO-UHFFFAOYSA-N
XLogP3.73
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.83
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide
CID 51174124
N,N-dimethyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 8868431
N-methyl-N-[(2-methylphenyl)methyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 7419862
N,N-dimethyl-2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]acetamide
CID 9491089
1-(4-tert-butylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone
CID 7844990
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 41187941
N-pentan-3-yl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 4795699
N-(3-chloro-2-methylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 2365775
1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone
CID 8868401
N-[(4-chlorophenyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634179
2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]acetamide
CID 8681717
N-(2-chloro-3-pyridinyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 7844984

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide (CID 17446112) is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide is CN(Cc1ccc(Cl)s1)C(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
The InChIKey is VWNXLUQVALYFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3N5OS/c1-24(8-12-5-6-13(17)27-12)14(26)9-25-22-15(21-23-25)10-3-2-4-11(7-10)16(18,19)20/h2-7H,8-9H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide has a molecular weight of 415.83 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide is sourced from PubChem (CID 17446112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).