(2S)-N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-2-methylsulfanylpropanamide

C14H16FN3OS2 — CID 95275387

IUPAC(2S)-N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-2-methylsulfanylpropanamide
SMILESCS[C@@H](C)C(=O)Nc1cc(F)ccc1Sc1nccn1C
InChIInChI=1S/C14H16FN3OS2/c1-9(20-3)13(19)17-11-8-10(15)4-5-12(11)21-14-16-6-7-18(14)2/h4-9H,1-3H3,(H,17,19)/t9-/m0/s1
InChIKeyRZBSPJZFDGKVOV-VIFPVBQESA-N
MW325.43 g/mol
LogP3.40
Rot. Bonds5

About (2S)-N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-2-methylsulfanylpropanamide

(2S)-N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-2-methylsulfanylpropanamide (PubChem CID 95275387) has the molecular formula C14H16FN3OS2 and a molecular weight of 325.43 g/mol. Its IUPAC name is (2S)-N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-2-methylsulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-2-methylsulfanylpropanamide
PubChem CID95275387
Molecular FormulaC14H16FN3OS2
Molecular Weight325.43 g/mol
Exact Mass325.07
IUPAC Name(2S)-N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-2-methylsulfanylpropanamide
SMILESCS[C@@H](C)C(=O)Nc1cc(F)ccc1Sc1nccn1C
InChIInChI=1S/C14H16FN3OS2/c1-9(20-3)13(19)17-11-8-10(15)4-5-12(11)21-14-16-6-7-18(14)2/h4-9H,1-3H3,(H,17,19)/t9-/m0/s1
InChIKeyRZBSPJZFDGKVOV-VIFPVBQESA-N
XLogP3.40
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-2-methylsulfanylacetamide
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N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119759560
3-amino-N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopentane-1-carboxamide
CID 119759543
(2S,5R)-5-(aminomethyl)-N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]oxolane-2-carboxamide;hydrochloride
CID 120790735
(2S)-N-(4-bromo-2-fluorophenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide
CID 40665575
4-fluoro-2-(1-methylimidazol-2-yl)sulfanylaniline
CID 62377498
N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
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[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine
CID 63674003
3-(2,5-difluorophenyl)-N-[2-(1-methylimidazol-2-yl)sulfanylphenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 102556994
N-[5-chloro-2-(1-methylimidazol-2-yl)sulfanylphenyl]pentanamide
CID 60607516
N-(5-amino-2-methylphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide
CID 43187425

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-2-methylsulfanylpropanamide?
The IUPAC name of (2S)-N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-2-methylsulfanylpropanamide (CID 95275387) is (2S)-N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-2-methylsulfanylpropanamide.
What is the SMILES notation for (2S)-N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-2-methylsulfanylpropanamide?
The canonical SMILES for (2S)-N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-2-methylsulfanylpropanamide is CS[C@@H](C)C(=O)Nc1cc(F)ccc1Sc1nccn1C.
What is the InChIKey of (2S)-N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-2-methylsulfanylpropanamide?
The InChIKey is RZBSPJZFDGKVOV-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16FN3OS2/c1-9(20-3)13(19)17-11-8-10(15)4-5-12(11)21-14-16-6-7-18(14)2/h4-9H,1-3H3,(H,17,19)/t9-/m0/s1.
What are the key properties of (2S)-N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-2-methylsulfanylpropanamide?
(2S)-N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-2-methylsulfanylpropanamide has a molecular weight of 325.43 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-2-methylsulfanylpropanamide is sourced from PubChem (CID 95275387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).