N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(1-phenylimidazol-2-yl)sulfanylacetamide

C19H17ClFN3OS — CID 33234150

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(1-phenylimidazol-2-yl)sulfanylacetamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)CSc1nccn1-c1ccccc1
InChIInChI=1S/C19H17ClFN3OS/c1-23(12-15-16(20)8-5-9-17(15)21)18(25)13-26-19-22-10-11-24(19)14-6-3-2-4-7-14/h2-11H,12-13H2,1H3
InChIKeyPKZKLVWVLFWEOW-UHFFFAOYSA-N
MW389.88 g/mol
LogP4.42
Rot. Bonds6

About N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(1-phenylimidazol-2-yl)sulfanylacetamide

N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(1-phenylimidazol-2-yl)sulfanylacetamide (PubChem CID 33234150) has the molecular formula C19H17ClFN3OS and a molecular weight of 389.88 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(1-phenylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(1-phenylimidazol-2-yl)sulfanylacetamide
PubChem CID33234150
Molecular FormulaC19H17ClFN3OS
Molecular Weight389.88 g/mol
Exact Mass389.08
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(1-phenylimidazol-2-yl)sulfanylacetamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)CSc1nccn1-c1ccccc1
InChIInChI=1S/C19H17ClFN3OS/c1-23(12-15-16(20)8-5-9-17(15)21)18(25)13-26-19-22-10-11-24(19)14-6-3-2-4-7-14/h2-11H,12-13H2,1H3
InChIKeyPKZKLVWVLFWEOW-UHFFFAOYSA-N
XLogP4.42
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-methylacetamide
CID 17414568
N-[(1-benzylpyrazol-4-yl)methyl]-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-N-methylacetamide
CID 17421872
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 18227855
N-[(2-chloro-6-fluorophenyl)methyl]-2-[[4-(3-fluorophenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide
CID 27777974
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 41423044
N-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-methylacetamide
CID 961833
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 112776875
2-[[4-amino-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 33450316
3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide
CID 43470580
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-N-methyl-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide
CID 155947401
N-[(2-chloro-6-fluorophenyl)methyl]-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-methylacetamide
CID 42141395
N-[(2-chloro-6-fluorophenyl)methyl]-2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide
CID 51300412

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(1-phenylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(1-phenylimidazol-2-yl)sulfanylacetamide (CID 33234150) is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(1-phenylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(1-phenylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(1-phenylimidazol-2-yl)sulfanylacetamide is CN(Cc1c(F)cccc1Cl)C(=O)CSc1nccn1-c1ccccc1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(1-phenylimidazol-2-yl)sulfanylacetamide?
The InChIKey is PKZKLVWVLFWEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3OS/c1-23(12-15-16(20)8-5-9-17(15)21)18(25)13-26-19-22-10-11-24(19)14-6-3-2-4-7-14/h2-11H,12-13H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(1-phenylimidazol-2-yl)sulfanylacetamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(1-phenylimidazol-2-yl)sulfanylacetamide has a molecular weight of 389.88 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(1-phenylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 33234150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).