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

C21H20FN3O2S — CID 40790131

IUPAC(2S)-N-cyclopropyl-2-(4-fluorophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCOc1ccc(-n2ccnc2S[C@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H20FN3O2S/c1-27-18-10-8-17(9-11-18)25-13-12-23-21(25)28-19(20(26)24-16-6-7-16)14-2-4-15(22)5-3-14/h2-5,8-13,16,19H,6-7H2,1H3,(H,24,26)/t19-/m0/s1
InChIKeyQUGKNSBRPILUBR-IBGZPJMESA-N
MW397.48 g/mol
LogP4.13
Rot. Bonds7

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

(2S)-N-cyclopropyl-2-(4-fluorophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 40790131) has the molecular formula C21H20FN3O2S and a molecular weight of 397.48 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-(4-fluorophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-(4-fluorophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID40790131
Molecular FormulaC21H20FN3O2S
Molecular Weight397.48 g/mol
Exact Mass397.13
IUPAC Name(2S)-N-cyclopropyl-2-(4-fluorophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCOc1ccc(-n2ccnc2S[C@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H20FN3O2S/c1-27-18-10-8-17(9-11-18)25-13-12-23-21(25)28-19(20(26)24-16-6-7-16)14-2-4-15(22)5-3-14/h2-5,8-13,16,19H,6-7H2,1H3,(H,24,26)/t19-/m0/s1
InChIKeyQUGKNSBRPILUBR-IBGZPJMESA-N
XLogP4.13
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-cyclopropyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-2-phenylacetamide
CID 40654553
N-cyclopropyl-2-(4-fluorophenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 16601843
N-cyclopropyl-2-phenyl-2-(1-phenylimidazol-2-yl)sulfanylacetamide
CID 42944870
N-cyclopropyl-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-2-(4-fluorophenyl)acetamide
CID 16589309
N-cyclopropyl-2-(4-fluorophenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 17444085
(2S)-N-(cyclohexylcarbamoyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 40730777
(2S)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-methylpropanamide
CID 37286849
N-(2,4-difluorophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 46625433
(2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 41398608
N-cyclopropyl-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(4-fluorophenyl)acetamide
CID 17443709
(2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide
CID 41433682
(2R)-N-(3-fluorophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 40675396

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-(4-fluorophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of (2S)-N-cyclopropyl-2-(4-fluorophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide (CID 40790131) is (2S)-N-cyclopropyl-2-(4-fluorophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-(4-fluorophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-(4-fluorophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide is COc1ccc(-n2ccnc2S[C@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1.
What is the InChIKey of (2S)-N-cyclopropyl-2-(4-fluorophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is QUGKNSBRPILUBR-IBGZPJMESA-N. The full InChI is InChI=1S/C21H20FN3O2S/c1-27-18-10-8-17(9-11-18)25-13-12-23-21(25)28-19(20(26)24-16-6-7-16)14-2-4-15(22)5-3-14/h2-5,8-13,16,19H,6-7H2,1H3,(H,24,26)/t19-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-(4-fluorophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
(2S)-N-cyclopropyl-2-(4-fluorophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 397.48 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-(4-fluorophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 40790131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).