N-[(2-chloro-6-fluorophenyl)methyl]-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-methylacetamide

C16H15ClFN5O2S — CID 42141395

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-methylacetamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)CSc1nnnn1Cc1ccco1
InChIInChI=1S/C16H15ClFN5O2S/c1-22(9-12-13(17)5-2-6-14(12)18)15(24)10-26-16-19-20-21-23(16)8-11-4-3-7-25-11/h2-7H,8-10H2,1H3
InChIKeyYQHLTETVMCAEFX-UHFFFAOYSA-N
MW395.85 g/mol
LogP2.86
Rot. Bonds7

About N-[(2-chloro-6-fluorophenyl)methyl]-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-methylacetamide

N-[(2-chloro-6-fluorophenyl)methyl]-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-methylacetamide (PubChem CID 42141395) has the molecular formula C16H15ClFN5O2S and a molecular weight of 395.85 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-methylacetamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-methylacetamide
PubChem CID42141395
Molecular FormulaC16H15ClFN5O2S
Molecular Weight395.85 g/mol
Exact Mass395.06
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-methylacetamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)CSc1nnnn1Cc1ccco1
InChIInChI=1S/C16H15ClFN5O2S/c1-22(9-12-13(17)5-2-6-14(12)18)15(24)10-26-16-19-20-21-23(16)8-11-4-3-7-25-11/h2-7H,8-10H2,1H3
InChIKeyYQHLTETVMCAEFX-UHFFFAOYSA-N
XLogP2.86
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[(2-chloro-6-fluorophenyl)methyl]-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-methylacetamide 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-[(2-chloro-6-fluorophenyl)methyl]-2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide
CID 51300412
N-[[4-(dimethylamino)phenyl]methyl]-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-methylacetamide
CID 41493019
[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] N'-(furan-2-ylmethyl)carbamimidothioate
CID 36695188
2-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 30475761
N-ethyl-N-[(3-fluorophenyl)methyl]-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 18140830
N-(2-chlorophenyl)-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 18140636
5-(2-chloroprop-2-enylsulfanyl)-1-(furan-2-ylmethyl)tetrazole
CID 47138145
N-[(2-chloro-6-fluorophenyl)methyl]-2-[[4-(furan-2-ylmethyl)-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methylpropanamide
CID 112810863
N-[(2-chloro-6-fluorophenyl)methyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-methylacetamide
CID 17414568
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 30475769
N-(5-chloro-2-pyridinyl)-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 46693836
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(1-phenylimidazol-2-yl)sulfanylacetamide
CID 33234150

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-methylacetamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-methylacetamide (CID 42141395) is N-[(2-chloro-6-fluorophenyl)methyl]-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-methylacetamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-methylacetamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-methylacetamide is CN(Cc1c(F)cccc1Cl)C(=O)CSc1nnnn1Cc1ccco1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-methylacetamide?
The InChIKey is YQHLTETVMCAEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN5O2S/c1-22(9-12-13(17)5-2-6-14(12)18)15(24)10-26-16-19-20-21-23(16)8-11-4-3-7-25-11/h2-7H,8-10H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-methylacetamide?
N-[(2-chloro-6-fluorophenyl)methyl]-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-methylacetamide has a molecular weight of 395.85 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-methylacetamide is sourced from PubChem (CID 42141395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).