(2S)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylsulfanylpropanamide

C20H20FN3OS — CID 25344752

IUPAC(2S)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylsulfanylpropanamide
SMILESC[C@H](Sc1ccccc1)C(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C
InChIInChI=1S/C20H20FN3OS/c1-14(26-17-6-4-3-5-7-17)20(25)23-18(19-22-12-13-24(19)2)15-8-10-16(21)11-9-15/h3-14,18H,1-2H3,(H,23,25)/t14-,18-/m0/s1
InChIKeyFMFPVDRCDRPREY-KSSFIOAISA-N
MW369.47 g/mol
LogP3.95
Rot. Bonds6

About (2S)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylsulfanylpropanamide

(2S)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylsulfanylpropanamide (PubChem CID 25344752) has the molecular formula C20H20FN3OS and a molecular weight of 369.47 g/mol. Its IUPAC name is (2S)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylsulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylsulfanylpropanamide
PubChem CID25344752
Molecular FormulaC20H20FN3OS
Molecular Weight369.47 g/mol
Exact Mass369.13
IUPAC Name(2S)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylsulfanylpropanamide
SMILESC[C@H](Sc1ccccc1)C(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C
InChIInChI=1S/C20H20FN3OS/c1-14(26-17-6-4-3-5-7-17)20(25)23-18(19-22-12-13-24(19)2)15-8-10-16(21)11-9-15/h3-14,18H,1-2H3,(H,23,25)/t14-,18-/m0/s1
InChIKeyFMFPVDRCDRPREY-KSSFIOAISA-N
XLogP3.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylbutanamide
CID 51331957
N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 25338605
3-(4-fluorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]butanamide
CID 55925130
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylsulfanylacetamide
CID 40809503
(2R)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methylphenoxy)propanamide
CID 25369016
N-[1-[[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 42922981
1-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(1-phenylcyclopropyl)methyl]urea
CID 42954354
1-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-naphthalen-1-ylurea
CID 24616480
(1R)-N-benzyl-1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine
CID 92854408
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 27453749
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-phenoxypropanamide
CID 47014676
N-[(4-fluorophenyl)-phenylmethyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 60506189

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylsulfanylpropanamide?
The IUPAC name of (2S)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylsulfanylpropanamide (CID 25344752) is (2S)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylsulfanylpropanamide.
What is the SMILES notation for (2S)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylsulfanylpropanamide?
The canonical SMILES for (2S)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylsulfanylpropanamide is C[C@H](Sc1ccccc1)C(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C.
What is the InChIKey of (2S)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylsulfanylpropanamide?
The InChIKey is FMFPVDRCDRPREY-KSSFIOAISA-N. The full InChI is InChI=1S/C20H20FN3OS/c1-14(26-17-6-4-3-5-7-17)20(25)23-18(19-22-12-13-24(19)2)15-8-10-16(21)11-9-15/h3-14,18H,1-2H3,(H,23,25)/t14-,18-/m0/s1.
What are the key properties of (2S)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylsulfanylpropanamide?
(2S)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylsulfanylpropanamide has a molecular weight of 369.47 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylsulfanylpropanamide is sourced from PubChem (CID 25344752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).