2-(2-fluorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]acetamide

C18H16FN3OS — CID 51297425

IUPAC2-(2-fluorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]acetamide
SMILESCn1ccnc1Sc1ccc(NC(=O)Cc2ccccc2F)cc1
InChIInChI=1S/C18H16FN3OS/c1-22-11-10-20-18(22)24-15-8-6-14(7-9-15)21-17(23)12-13-4-2-3-5-16(13)19/h2-11H,12H2,1H3,(H,21,23)
InChIKeyHTIFQLRUAMQJSC-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.89
Rot. Bonds5

About 2-(2-fluorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]acetamide

2-(2-fluorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]acetamide (PubChem CID 51297425) has the molecular formula C18H16FN3OS and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]acetamide
PubChem CID51297425
Molecular FormulaC18H16FN3OS
Molecular Weight341.41 g/mol
Exact Mass341.10
IUPAC Name2-(2-fluorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]acetamide
SMILESCn1ccnc1Sc1ccc(NC(=O)Cc2ccccc2F)cc1
InChIInChI=1S/C18H16FN3OS/c1-22-11-10-20-18(22)24-15-8-6-14(7-9-15)21-17(23)12-13-4-2-3-5-16(13)19/h2-11H,12H2,1H3,(H,21,23)
InChIKeyHTIFQLRUAMQJSC-UHFFFAOYSA-N
XLogP3.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]butanamide
CID 47138421
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]propanamide
CID 55497254
2-(cyclopropylmethylamino)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]acetamide
CID 119699001
2-iodo-N-[2-[4-(1-methylimidazol-2-yl)sulfanylanilino]-2-oxoethyl]benzamide
CID 55519361
1-(2-fluorophenyl)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-one
CID 43802153
N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 55497406
N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 134043238
1-(4-fluorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopropane-1-carboxamide
CID 134003334
4-amino-3-methoxy-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]butanamide;hydrochloride
CID 120587660
2-(2-fluorophenyl)-N-imidazo[1,2-a]pyridin-6-ylacetamide
CID 110734742
2-amino-2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]propanamide;hydrochloride
CID 119276286
2-(2-fluorophenyl)-N-(1-methylbenzimidazol-5-yl)acetamide
CID 110728564

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]acetamide (CID 51297425) is 2-(2-fluorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]acetamide is Cn1ccnc1Sc1ccc(NC(=O)Cc2ccccc2F)cc1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]acetamide?
The InChIKey is HTIFQLRUAMQJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3OS/c1-22-11-10-20-18(22)24-15-8-6-14(7-9-15)21-17(23)12-13-4-2-3-5-16(13)19/h2-11H,12H2,1H3,(H,21,23).
What are the key properties of 2-(2-fluorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]acetamide?
2-(2-fluorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]acetamide has a molecular weight of 341.41 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]acetamide is sourced from PubChem (CID 51297425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).