N-[(4-fluorophenyl)methyl]-N-methyl-2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C21H23FN4OS — CID 9474863

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCC(C)c1nc(SCC(=O)N(C)Cc2ccc(F)cc2)nn1-c1ccccc1
InChIInChI=1S/C21H23FN4OS/c1-15(2)20-23-21(24-26(20)18-7-5-4-6-8-18)28-14-19(27)25(3)13-16-9-11-17(22)12-10-16/h4-12,15H,13-14H2,1-3H3
InChIKeyMJIMMVUDHHTFGU-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.28
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-N-methyl-2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-[(4-fluorophenyl)methyl]-N-methyl-2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 9474863) has the molecular formula C21H23FN4OS and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID9474863
Molecular FormulaC21H23FN4OS
Molecular Weight398.51 g/mol
Exact Mass398.16
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCC(C)c1nc(SCC(=O)N(C)Cc2ccc(F)cc2)nn1-c1ccccc1
InChIInChI=1S/C21H23FN4OS/c1-15(2)20-23-21(24-26(20)18-7-5-4-6-8-18)28-14-19(27)25(3)13-16-9-11-17(22)12-10-16/h4-12,15H,13-14H2,1-3H3
InChIKeyMJIMMVUDHHTFGU-UHFFFAOYSA-N
XLogP4.28
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(4-fluorophenyl)methyl]-N-methyl-2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]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-[(4-fluorophenyl)methyl]-N-methyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 84602700
N-benzyl-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide
CID 2531105
(2R)-N-[(4-fluorophenyl)methyl]-N-methyl-2-phenylpropanamide
CID 124598211
N-[(4-fluorophenyl)methyl]-N-methyl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide
CID 46815747
ethyl 4-amino-2-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate
CID 16543038
N-[(4-fluorophenyl)methyl]-2-[(2R,3S)-3-hydroxybutan-2-yl]sulfanyl-N-methylacetamide
CID 97068861
N-[(4-fluorophenyl)methyl]-N-methyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 78760670
N-benzyl-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide
CID 112760111
N-[(4-fluorophenyl)methyl]-2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide
CID 112781856
2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 8806073
N-[(4-fluorophenyl)methyl]-N-methyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 16541521
2-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 78771203

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 9474863) is N-[(4-fluorophenyl)methyl]-N-methyl-2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CC(C)c1nc(SCC(=O)N(C)Cc2ccc(F)cc2)nn1-c1ccccc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is MJIMMVUDHHTFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4OS/c1-15(2)20-23-21(24-26(20)18-7-5-4-6-8-18)28-14-19(27)25(3)13-16-9-11-17(22)12-10-16/h4-12,15H,13-14H2,1-3H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-[(4-fluorophenyl)methyl]-N-methyl-2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 398.51 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methyl-2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 9474863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).