N-[4-[[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide

C18H18FN3O3S2 — CID 2148597

IUPACN-[4-[[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN=C2SCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H18FN3O3S2/c1-13(23)21-16-6-8-17(9-7-16)27(24,25)22-11-10-20-18(22)26-12-14-2-4-15(19)5-3-14/h2-9H,10-12H2,1H3,(H,21,23)
InChIKeyYXOQNIXLWOLEIB-UHFFFAOYSA-N
MW407.49 g/mol
LogP3.08
Rot. Bonds5

About N-[4-[[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide

N-[4-[[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide (PubChem CID 2148597) has the molecular formula C18H18FN3O3S2 and a molecular weight of 407.49 g/mol. Its IUPAC name is N-[4-[[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide
PubChem CID2148597
Molecular FormulaC18H18FN3O3S2
Molecular Weight407.49 g/mol
Exact Mass407.08
IUPAC NameN-[4-[[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN=C2SCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H18FN3O3S2/c1-13(23)21-16-6-8-17(9-7-16)27(24,25)22-11-10-20-18(22)26-12-14-2-4-15(19)5-3-14/h2-9H,10-12H2,1H3,(H,21,23)
InChIKeyYXOQNIXLWOLEIB-UHFFFAOYSA-N
XLogP3.08
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide?
The IUPAC name of N-[4-[[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide (CID 2148597) is N-[4-[[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCN=C2SCc2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-[[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide?
The InChIKey is YXOQNIXLWOLEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3S2/c1-13(23)21-16-6-8-17(9-7-16)27(24,25)22-11-10-20-18(22)26-12-14-2-4-15(19)5-3-14/h2-9H,10-12H2,1H3,(H,21,23).
What are the key properties of N-[4-[[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide?
N-[4-[[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide has a molecular weight of 407.49 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide is sourced from PubChem (CID 2148597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).