2-(2-chloro-6-fluorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]acetamide

C18H13ClFNO2S2 — CID 72717694

IUPAC2-(2-chloro-6-fluorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NCc1ccc(C(=O)c2ccsc2)s1
InChIInChI=1S/C18H13ClFNO2S2/c19-14-2-1-3-15(20)13(14)8-17(22)21-9-12-4-5-16(25-12)18(23)11-6-7-24-10-11/h1-7,10H,8-9H2,(H,21,22)
InChIKeyPLQDWUGFLVMWIU-UHFFFAOYSA-N
MW393.89 g/mol
LogP4.69
Rot. Bonds6

About 2-(2-chloro-6-fluorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]acetamide (PubChem CID 72717694) has the molecular formula C18H13ClFNO2S2 and a molecular weight of 393.89 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]acetamide
PubChem CID72717694
Molecular FormulaC18H13ClFNO2S2
Molecular Weight393.89 g/mol
Exact Mass393.01
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NCc1ccc(C(=O)c2ccsc2)s1
InChIInChI=1S/C18H13ClFNO2S2/c19-14-2-1-3-15(20)13(14)8-17(22)21-9-12-4-5-16(25-12)18(23)11-6-7-24-10-11/h1-7,10H,8-9H2,(H,21,22)
InChIKeyPLQDWUGFLVMWIU-UHFFFAOYSA-N
XLogP4.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.89
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-chloro-6-fluorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(2-chlorophenyl)methyl]-N'-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide
CID 90612780
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]acetamide
CID 72717693
3,4-difluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612529
4,4,4-trifluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]butanamide
CID 90613215
2-(2-chloro-6-fluorophenyl)-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
CID 18229081
2,4-difluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612528
3-phenyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]propanamide
CID 90612512
5-bromo-2-chloro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612616
N'-(4-chlorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide
CID 90612759
N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-4-(trifluoromethoxy)benzamide
CID 72717594
2-(2-chloro-6-fluorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide
CID 91625659
4-cyano-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612509

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]acetamide (CID 72717694) is 2-(2-chloro-6-fluorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]acetamide is O=C(Cc1c(F)cccc1Cl)NCc1ccc(C(=O)c2ccsc2)s1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]acetamide?
The InChIKey is PLQDWUGFLVMWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFNO2S2/c19-14-2-1-3-15(20)13(14)8-17(22)21-9-12-4-5-16(25-12)18(23)11-6-7-24-10-11/h1-7,10H,8-9H2,(H,21,22).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]acetamide has a molecular weight of 393.89 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 72717694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).