N-cyclopropyl-2-(4-fluorophenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide

C21H20FN3OS — CID 16601843

IUPACN-cyclopropyl-2-(4-fluorophenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCc1ccccc1-n1ccnc1SC(C(=O)NC1CC1)c1ccc(F)cc1
InChIInChI=1S/C21H20FN3OS/c1-14-4-2-3-5-18(14)25-13-12-23-21(25)27-19(20(26)24-17-10-11-17)15-6-8-16(22)9-7-15/h2-9,12-13,17,19H,10-11H2,1H3,(H,24,26)
InChIKeyAMMGCOLFICJXNA-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.43
Rot. Bonds6

About N-cyclopropyl-2-(4-fluorophenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide

N-cyclopropyl-2-(4-fluorophenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 16601843) has the molecular formula C21H20FN3OS and a molecular weight of 381.48 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-fluorophenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-fluorophenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID16601843
Molecular FormulaC21H20FN3OS
Molecular Weight381.48 g/mol
Exact Mass381.13
IUPAC NameN-cyclopropyl-2-(4-fluorophenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCc1ccccc1-n1ccnc1SC(C(=O)NC1CC1)c1ccc(F)cc1
InChIInChI=1S/C21H20FN3OS/c1-14-4-2-3-5-18(14)25-13-12-23-21(25)27-19(20(26)24-17-10-11-17)15-6-8-16(22)9-7-15/h2-9,12-13,17,19H,10-11H2,1H3,(H,24,26)
InChIKeyAMMGCOLFICJXNA-UHFFFAOYSA-N
XLogP4.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-2-(4-fluorophenyl)acetamide
CID 16589309
(2S)-N-cyclopropyl-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 31882004
(2S)-N-cyclopropyl-2-(4-fluorophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 40790131
N-cyclopropyl-2-phenyl-2-(1-phenylimidazol-2-yl)sulfanylacetamide
CID 42944870
(2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide
CID 41433682
N-(4-methylcyclohexyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 39756642
(2R)-N-cyclopropyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-2-phenylacetamide
CID 40654553
N-cyclopropyl-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(4-fluorophenyl)acetamide
CID 17443709
N-(2,6-difluorophenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51236623
2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(2-methylpropyl)propanamide
CID 46629780
2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 55721604
(2S)-N-cyclopropyl-2-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 40790129

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-fluorophenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-cyclopropyl-2-(4-fluorophenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide (CID 16601843) is N-cyclopropyl-2-(4-fluorophenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclopropyl-2-(4-fluorophenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-cyclopropyl-2-(4-fluorophenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide is Cc1ccccc1-n1ccnc1SC(C(=O)NC1CC1)c1ccc(F)cc1.
What is the InChIKey of N-cyclopropyl-2-(4-fluorophenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is AMMGCOLFICJXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3OS/c1-14-4-2-3-5-18(14)25-13-12-23-21(25)27-19(20(26)24-17-10-11-17)15-6-8-16(22)9-7-15/h2-9,12-13,17,19H,10-11H2,1H3,(H,24,26).
What are the key properties of N-cyclopropyl-2-(4-fluorophenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide?
N-cyclopropyl-2-(4-fluorophenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 381.48 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-fluorophenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 16601843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).