2-(2-amino-4-fluorophenyl)sulfanyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide

C14H14ClFN2OS2 — CID 43304154

IUPAC2-(2-amino-4-fluorophenyl)sulfanyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)CSc1ccc(F)cc1N
InChIInChI=1S/C14H14ClFN2OS2/c1-18(7-10-3-5-13(15)21-10)14(19)8-20-12-4-2-9(16)6-11(12)17/h2-6H,7-8,17H2,1H3
InChIKeyIBTHVPGUSPPWIL-UHFFFAOYSA-N
MW344.86 g/mol
LogP3.87
Rot. Bonds5

About 2-(2-amino-4-fluorophenyl)sulfanyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide

2-(2-amino-4-fluorophenyl)sulfanyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide (PubChem CID 43304154) has the molecular formula C14H14ClFN2OS2 and a molecular weight of 344.86 g/mol. Its IUPAC name is 2-(2-amino-4-fluorophenyl)sulfanyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2-amino-4-fluorophenyl)sulfanyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
PubChem CID43304154
Molecular FormulaC14H14ClFN2OS2
Molecular Weight344.86 g/mol
Exact Mass344.02
IUPAC Name2-(2-amino-4-fluorophenyl)sulfanyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)CSc1ccc(F)cc1N
InChIInChI=1S/C14H14ClFN2OS2/c1-18(7-10-3-5-13(15)21-10)14(19)8-20-12-4-2-9(16)6-11(12)17/h2-6H,7-8,17H2,1H3
InChIKeyIBTHVPGUSPPWIL-UHFFFAOYSA-N
XLogP3.87
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.86
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(5-amino-2-chlorophenyl)sulfanyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 79127346
2-(4-amino-3-methylphenyl)sulfanyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 79129036
N-[(5-chlorothiophen-2-yl)methyl]-2-[[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylacetamide
CID 24519499
[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethyl] carbamimidothioate
CID 36522118
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-N-methylbenzamide
CID 61116554
N-(2-amino-5-fluorophenyl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide
CID 61438327
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-oxobutanamide
CID 60951660
N-[(5-chlorothiophen-2-yl)methyl]-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide
CID 24633818
N-[(5-chlorothiophen-2-yl)methyl]-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
CID 51320888
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 60937566
(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 78973111
2-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 167865036

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-fluorophenyl)sulfanyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-(2-amino-4-fluorophenyl)sulfanyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide (CID 43304154) is 2-(2-amino-4-fluorophenyl)sulfanyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(2-amino-4-fluorophenyl)sulfanyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(2-amino-4-fluorophenyl)sulfanyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide is CN(Cc1ccc(Cl)s1)C(=O)CSc1ccc(F)cc1N.
What is the InChIKey of 2-(2-amino-4-fluorophenyl)sulfanyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide?
The InChIKey is IBTHVPGUSPPWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2OS2/c1-18(7-10-3-5-13(15)21-10)14(19)8-20-12-4-2-9(16)6-11(12)17/h2-6H,7-8,17H2,1H3.
What are the key properties of 2-(2-amino-4-fluorophenyl)sulfanyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide?
2-(2-amino-4-fluorophenyl)sulfanyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide has a molecular weight of 344.86 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-fluorophenyl)sulfanyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 43304154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).