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

C14H13BrFNOS2 — CID 55360674

IUPACN-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenyl)sulfanyl-N-methylacetamide
SMILESCN(Cc1ccc(Br)s1)C(=O)CSc1ccc(F)cc1
InChIInChI=1S/C14H13BrFNOS2/c1-17(8-12-6-7-13(15)20-12)14(18)9-19-11-4-2-10(16)3-5-11/h2-7H,8-9H2,1H3
InChIKeyKVCBDXCZXYYKDN-UHFFFAOYSA-N
MW374.30 g/mol
LogP4.40
Rot. Bonds5

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

N-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenyl)sulfanyl-N-methylacetamide (PubChem CID 55360674) has the molecular formula C14H13BrFNOS2 and a molecular weight of 374.30 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenyl)sulfanyl-N-methylacetamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenyl)sulfanyl-N-methylacetamide
PubChem CID55360674
Molecular FormulaC14H13BrFNOS2
Molecular Weight374.30 g/mol
Exact Mass372.96
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenyl)sulfanyl-N-methylacetamide
SMILESCN(Cc1ccc(Br)s1)C(=O)CSc1ccc(F)cc1
InChIInChI=1S/C14H13BrFNOS2/c1-17(8-12-6-7-13(15)20-12)14(18)9-19-11-4-2-10(16)3-5-11/h2-7H,8-9H2,1H3
InChIKeyKVCBDXCZXYYKDN-UHFFFAOYSA-N
XLogP4.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.30
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenyl)sulfanyl-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenyl)sulfanyl-N-methylacetamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenyl)sulfanyl-N-methylacetamide (CID 55360674) is N-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenyl)sulfanyl-N-methylacetamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenyl)sulfanyl-N-methylacetamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenyl)sulfanyl-N-methylacetamide is CN(Cc1ccc(Br)s1)C(=O)CSc1ccc(F)cc1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenyl)sulfanyl-N-methylacetamide?
The InChIKey is KVCBDXCZXYYKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNOS2/c1-17(8-12-6-7-13(15)20-12)14(18)9-19-11-4-2-10(16)3-5-11/h2-7H,8-9H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenyl)sulfanyl-N-methylacetamide?
N-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenyl)sulfanyl-N-methylacetamide has a molecular weight of 374.30 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenyl)sulfanyl-N-methylacetamide is sourced from PubChem (CID 55360674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).