2-(3,4-difluorophenyl)sulfanyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide

C19H17F2N3OS — CID 37424854

IUPAC2-(3,4-difluorophenyl)sulfanyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(CSc1ccc(F)c(F)c1)NCc1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C19H17F2N3OS/c20-17-6-5-16(9-18(17)21)26-12-19(25)23-10-14-1-3-15(4-2-14)11-24-8-7-22-13-24/h1-9,13H,10-12H2,(H,23,25)
InChIKeyIQFKEYZBTOCFPO-UHFFFAOYSA-N
MW373.43 g/mol
LogP3.62
Rot. Bonds7

About 2-(3,4-difluorophenyl)sulfanyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide

2-(3,4-difluorophenyl)sulfanyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 37424854) has the molecular formula C19H17F2N3OS and a molecular weight of 373.43 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)sulfanyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)sulfanyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID37424854
Molecular FormulaC19H17F2N3OS
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name2-(3,4-difluorophenyl)sulfanyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(CSc1ccc(F)c(F)c1)NCc1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C19H17F2N3OS/c20-17-6-5-16(9-18(17)21)26-12-19(25)23-10-14-1-3-15(4-2-14)11-24-8-7-22-13-24/h1-9,13H,10-12H2,(H,23,25)
InChIKeyIQFKEYZBTOCFPO-UHFFFAOYSA-N
XLogP3.62
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
CID 34906705
2-(2,4-difluorophenoxy)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
CID 31987382
2,4-difluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 35858985
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 37422955
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 37423988
3-fluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-methylbenzamide
CID 37424570
2-(3,4-difluorophenyl)sulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 27172933
4-chloro-N-[4-[[4-(imidazol-1-ylmethyl)phenyl]methylamino]-4-oxobutyl]benzamide
CID 37426519
N-[(4-fluorophenyl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 2629170
N-[(2-chlorophenyl)methyl]-2-(3,4-difluorophenyl)sulfanylacetamide
CID 7736953
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,2-diphenylacetamide
CID 37426840
2-(1-hydroxycyclopentyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
CID 111430641

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide (CID 37424854) is 2-(3,4-difluorophenyl)sulfanyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)sulfanyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)sulfanyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide is O=C(CSc1ccc(F)c(F)c1)NCc1ccc(Cn2ccnc2)cc1.
What is the InChIKey of 2-(3,4-difluorophenyl)sulfanyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is IQFKEYZBTOCFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3OS/c20-17-6-5-16(9-18(17)21)26-12-19(25)23-10-14-1-3-15(4-2-14)11-24-8-7-22-13-24/h1-9,13H,10-12H2,(H,23,25).
What are the key properties of 2-(3,4-difluorophenyl)sulfanyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide?
2-(3,4-difluorophenyl)sulfanyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 373.43 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)sulfanyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 37424854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).