N-methyl-3-(1-methyltetrazol-5-yl)sulfanyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide

C14H16F3N5OS — CID 55910481

IUPACN-methyl-3-(1-methyltetrazol-5-yl)sulfanyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCN(Cc1ccccc1C(F)(F)F)C(=O)CCSc1nnnn1C
InChIInChI=1S/C14H16F3N5OS/c1-21(9-10-5-3-4-6-11(10)14(15,16)17)12(23)7-8-24-13-18-19-20-22(13)2/h3-6H,7-9H2,1-2H3
InChIKeyMIAOFGAXEYQBQM-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.37
Rot. Bonds6

About N-methyl-3-(1-methyltetrazol-5-yl)sulfanyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide

N-methyl-3-(1-methyltetrazol-5-yl)sulfanyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 55910481) has the molecular formula C14H16F3N5OS and a molecular weight of 359.38 g/mol. Its IUPAC name is N-methyl-3-(1-methyltetrazol-5-yl)sulfanyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound NameN-methyl-3-(1-methyltetrazol-5-yl)sulfanyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID55910481
Molecular FormulaC14H16F3N5OS
Molecular Weight359.38 g/mol
Exact Mass359.10
IUPAC NameN-methyl-3-(1-methyltetrazol-5-yl)sulfanyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCN(Cc1ccccc1C(F)(F)F)C(=O)CCSc1nnnn1C
InChIInChI=1S/C14H16F3N5OS/c1-21(9-10-5-3-4-6-11(10)14(15,16)17)12(23)7-8-24-13-18-19-20-22(13)2/h3-6H,7-9H2,1-2H3
InChIKeyMIAOFGAXEYQBQM-UHFFFAOYSA-N
XLogP2.37
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-methyl-3-(1-methyltetrazol-5-yl)sulfanyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide 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

[2-[[methyl-[4-(1-methyltetrazol-5-yl)sulfanylbutanoyl]amino]methyl]phenyl] acetate
CID 21295456
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 134002877
4-(4-fluoro-N-methylanilino)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide
CID 66679315
2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 134047370
4-(1-methyltetrazol-5-yl)sulfanylbutan-2-one
CID 3613438
2-(2,4-difluorophenyl)sulfanyl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 134047417
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 134047252
N-ethyl-3-(1-methyltetrazol-5-yl)sulfanyl-N-[(E)-3-phenylprop-2-enyl]propanamide
CID 46983852
3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 134002820
2-[2-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]acetic acid
CID 115460822
4-(1-methyltetrazol-5-yl)sulfanyl-1-phenylbutan-1-one
CID 13091625
N,N-dimethyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 18731478

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-methyltetrazol-5-yl)sulfanyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of N-methyl-3-(1-methyltetrazol-5-yl)sulfanyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide (CID 55910481) is N-methyl-3-(1-methyltetrazol-5-yl)sulfanyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for N-methyl-3-(1-methyltetrazol-5-yl)sulfanyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for N-methyl-3-(1-methyltetrazol-5-yl)sulfanyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide is CN(Cc1ccccc1C(F)(F)F)C(=O)CCSc1nnnn1C.
What is the InChIKey of N-methyl-3-(1-methyltetrazol-5-yl)sulfanyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is MIAOFGAXEYQBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5OS/c1-21(9-10-5-3-4-6-11(10)14(15,16)17)12(23)7-8-24-13-18-19-20-22(13)2/h3-6H,7-9H2,1-2H3.
What are the key properties of N-methyl-3-(1-methyltetrazol-5-yl)sulfanyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide?
N-methyl-3-(1-methyltetrazol-5-yl)sulfanyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 359.38 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-methyltetrazol-5-yl)sulfanyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 55910481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).