2-(4-amino-3-fluorophenyl)sulfanyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide

C14H14ClFN2OS2 — CID 79131357

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

About 2-(4-amino-3-fluorophenyl)sulfanyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide

2-(4-amino-3-fluorophenyl)sulfanyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide (PubChem CID 79131357) has the molecular formula C14H14ClFN2OS2 and a molecular weight of 344.86 g/mol. Its IUPAC name is 2-(4-amino-3-fluorophenyl)sulfanyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-amino-3-fluorophenyl)sulfanyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
PubChem CID79131357
Molecular FormulaC14H14ClFN2OS2
Molecular Weight344.86 g/mol
Exact Mass344.02
IUPAC Name2-(4-amino-3-fluorophenyl)sulfanyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)CSc1ccc(N)c(F)c1
InChIInChI=1S/C14H14ClFN2OS2/c1-18(7-10-3-5-13(15)21-10)14(19)8-20-9-2-4-12(17)11(16)6-9/h2-6H,7-8,17H2,1H3
InChIKeyQKALNZCVAJTQDU-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

N1-(4-chlorophenyl)-2-(2-thienylthio)acetamide
CID 2819664
N-(4-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
CID 4882299
N-(2-chloro-4-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 4852470
N-(3,5-dichlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 2555867
3-[2-[(5-Chlorothiophen-2-yl)methylamino]phenyl]sulfanylpropanamide
CID 75385357
1-(3-Chloro-4-fluorophenyl)-3-propyl-3-[(thiophen-2-YL)methyl]urea
CID 16016688
N-(3-chloro-4-fluorophenyl)-2-thiophen-2-ylsulfanylacetamide
CID 2819784
(E)-N-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylprop-2-enamide
CID 845037
(E)-N-(3-chloro-4-fluorophenyl)-3-thiophen-2-ylprop-2-enamide
CID 868646
N-(2-chloro-4-fluorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide
CID 17402922
2-(4-chloro-2-fluoroanilino)-N-(thiophen-2-ylmethyl)acetamide
CID 26508404
1-[(5-Chlorothiophen-2-yl)methyl]-1-ethyl-3-(4-fluorophenyl)urea
CID 27869970

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-fluorophenyl)sulfanyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-(4-amino-3-fluorophenyl)sulfanyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide (CID 79131357) is 2-(4-amino-3-fluorophenyl)sulfanyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-amino-3-fluorophenyl)sulfanyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(4-amino-3-fluorophenyl)sulfanyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide is CN(Cc1ccc(Cl)s1)C(=O)CSc1ccc(N)c(F)c1.
What is the InChIKey of 2-(4-amino-3-fluorophenyl)sulfanyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide?
The InChIKey is QKALNZCVAJTQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2OS2/c1-18(7-10-3-5-13(15)21-10)14(19)8-20-9-2-4-12(17)11(16)6-9/h2-6H,7-8,17H2,1H3.
What are the key properties of 2-(4-amino-3-fluorophenyl)sulfanyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide?
2-(4-amino-3-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-(4-amino-3-fluorophenyl)sulfanyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 79131357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).