2,4-dichloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide

C17H13Cl2NO2S2 — CID 90583522

IUPAC2,4-dichloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide
SMILESO=C(NCc1ccc(C(O)c2cccs2)s1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H13Cl2NO2S2/c18-10-3-5-12(13(19)8-10)17(22)20-9-11-4-6-15(24-11)16(21)14-2-1-7-23-14/h1-8,16,21H,9H2,(H,20,22)
InChIKeyUTPCBJLZOZIGTF-UHFFFAOYSA-N
MW398.34 g/mol
LogP5.13
Rot. Bonds5

About 2,4-dichloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide

2,4-dichloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide (PubChem CID 90583522) has the molecular formula C17H13Cl2NO2S2 and a molecular weight of 398.34 g/mol. Its IUPAC name is 2,4-dichloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide
PubChem CID90583522
Molecular FormulaC17H13Cl2NO2S2
Molecular Weight398.34 g/mol
Exact Mass396.98
IUPAC Name2,4-dichloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide
SMILESO=C(NCc1ccc(C(O)c2cccs2)s1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H13Cl2NO2S2/c18-10-3-5-12(13(19)8-10)17(22)20-9-11-4-6-15(24-11)16(21)14-2-1-7-23-14/h1-8,16,21H,9H2,(H,20,22)
InChIKeyUTPCBJLZOZIGTF-UHFFFAOYSA-N
XLogP5.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.34
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,4-dichloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide 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

5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methoxybenzamide
CID 71804650
4-chloro-N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide
CID 97041440
5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]thiophene-2-carboxamide
CID 71804635
N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2,4,6-trimethylbenzamide
CID 90583475
2,5-dichloro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide
CID 121133443
N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]furan-3-carboxamide
CID 71804666
2-chloro-4-fluoro-N-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]benzamide
CID 99882670
N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-naphthalen-1-ylacetamide
CID 90583516
4-(dimethylamino)-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide
CID 71804637
3,4-diethoxy-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide
CID 90583545
1-benzyl-3-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]urea
CID 90583773
5-chloro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-methoxybenzamide
CID 121134157

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide (CID 90583522) is 2,4-dichloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide is O=C(NCc1ccc(C(O)c2cccs2)s1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide?
The InChIKey is UTPCBJLZOZIGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2NO2S2/c18-10-3-5-12(13(19)8-10)17(22)20-9-11-4-6-15(24-11)16(21)14-2-1-7-23-14/h1-8,16,21H,9H2,(H,20,22).
What are the key properties of 2,4-dichloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide?
2,4-dichloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide has a molecular weight of 398.34 g/mol, XLogP of 5.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide is sourced from PubChem (CID 90583522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).