2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide

C18H17ClFN3OS2 — CID 25350533

IUPAC2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
SMILESCn1ccnc1[C@@H](NC(=O)CSCc1ccc(Cl)s1)c1ccccc1F
InChIInChI=1S/C18H17ClFN3OS2/c1-23-9-8-21-18(23)17(13-4-2-3-5-14(13)20)22-16(24)11-25-10-12-6-7-15(19)26-12/h2-9,17H,10-11H2,1H3,(H,22,24)/t17-/m0/s1
InChIKeyOZIGNAGFXANLRN-KRWDZBQOSA-N
MW409.94 g/mol
LogP4.41
Rot. Bonds7

About 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide

2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide (PubChem CID 25350533) has the molecular formula C18H17ClFN3OS2 and a molecular weight of 409.94 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
PubChem CID25350533
Molecular FormulaC18H17ClFN3OS2
Molecular Weight409.94 g/mol
Exact Mass409.05
IUPAC Name2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
SMILESCn1ccnc1[C@@H](NC(=O)CSCc1ccc(Cl)s1)c1ccccc1F
InChIInChI=1S/C18H17ClFN3OS2/c1-23-9-8-21-18(23)17(13-4-2-3-5-14(13)20)22-16(24)11-25-10-12-6-7-15(19)26-12/h2-9,17H,10-11H2,1H3,(H,22,24)/t17-/m0/s1
InChIKeyOZIGNAGFXANLRN-KRWDZBQOSA-N
XLogP4.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.94
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide with MolForge

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Related Compounds

2-(2-chlorophenyl)-N-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 40953992
2-(2,6-dichlorophenyl)-N-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25325328
2-(3,4-dichlorophenyl)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25346268
2-(3,4-difluorophenyl)sulfanyl-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 18102508
2-benzylsulfanyl-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25338698
3-(2-fluorophenyl)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 37295393
3-amino-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]butanamide;dihydrochloride
CID 119837361
2-(2-fluorophenoxy)-N-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25352041
1-(4-chlorophenyl)-3-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 17489943
1-(4-chlorophenyl)-3-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 41430473
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 18102488
2-(2,6-dimethylphenoxy)-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 17417006

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide (CID 25350533) is 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide is Cn1ccnc1[C@@H](NC(=O)CSCc1ccc(Cl)s1)c1ccccc1F.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
The InChIKey is OZIGNAGFXANLRN-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H17ClFN3OS2/c1-23-9-8-21-18(23)17(13-4-2-3-5-14(13)20)22-16(24)11-25-10-12-6-7-15(19)26-12/h2-9,17H,10-11H2,1H3,(H,22,24)/t17-/m0/s1.
What are the key properties of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide has a molecular weight of 409.94 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 25350533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).