N-[(5-chlorothiophen-2-yl)methyl]-2,4-dihydroxy-N-methylbenzamide

C13H12ClNO3S — CID 103601272

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2,4-dihydroxy-N-methylbenzamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)c1ccc(O)cc1O
InChIInChI=1S/C13H12ClNO3S/c1-15(7-9-3-5-12(14)19-9)13(18)10-4-2-8(16)6-11(10)17/h2-6,16-17H,7H2,1H3
InChIKeyPGQKYPKOXGTPDR-UHFFFAOYSA-N
MW297.76 g/mol
LogP3.08
Rot. Bonds3

About N-[(5-chlorothiophen-2-yl)methyl]-2,4-dihydroxy-N-methylbenzamide

N-[(5-chlorothiophen-2-yl)methyl]-2,4-dihydroxy-N-methylbenzamide (PubChem CID 103601272) has the molecular formula C13H12ClNO3S and a molecular weight of 297.76 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2,4-dihydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2,4-dihydroxy-N-methylbenzamide
PubChem CID103601272
Molecular FormulaC13H12ClNO3S
Molecular Weight297.76 g/mol
Exact Mass297.02
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2,4-dihydroxy-N-methylbenzamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)c1ccc(O)cc1O
InChIInChI=1S/C13H12ClNO3S/c1-15(7-9-3-5-12(14)19-9)13(18)10-4-2-8(16)6-11(10)17/h2-6,16-17H,7H2,1H3
InChIKeyPGQKYPKOXGTPDR-UHFFFAOYSA-N
XLogP3.08
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.76
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(5-chlorothiophen-2-yl)methyl]-2,4-dihydroxy-N-methylbenzamide 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-[(5-chlorothiophen-2-yl)methyl]-2-fluoro-4-hydroxy-N-methylbenzamide
CID 104928275
N-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroxy-N-methylbenzamide
CID 114344048
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,4-dihydroxyphenyl)ethanone
CID 62053041
4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-nitrobenzamide
CID 9107688
N-[(5-chlorothiophen-2-yl)methyl]-N,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 86768754
N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 60646136
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-N-methylbenzamide
CID 61116554
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylamino)-N-methylpyridine-4-carboxamide
CID 62179610
1-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-1-methylurea
CID 47107929
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 54906056
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide
CID 17480468
4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-sulfamoylbenzamide
CID 9107639

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2,4-dihydroxy-N-methylbenzamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2,4-dihydroxy-N-methylbenzamide (CID 103601272) is N-[(5-chlorothiophen-2-yl)methyl]-2,4-dihydroxy-N-methylbenzamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2,4-dihydroxy-N-methylbenzamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2,4-dihydroxy-N-methylbenzamide is CN(Cc1ccc(Cl)s1)C(=O)c1ccc(O)cc1O.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2,4-dihydroxy-N-methylbenzamide?
The InChIKey is PGQKYPKOXGTPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3S/c1-15(7-9-3-5-12(14)19-9)13(18)10-4-2-8(16)6-11(10)17/h2-6,16-17H,7H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2,4-dihydroxy-N-methylbenzamide?
N-[(5-chlorothiophen-2-yl)methyl]-2,4-dihydroxy-N-methylbenzamide has a molecular weight of 297.76 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2,4-dihydroxy-N-methylbenzamide is sourced from PubChem (CID 103601272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).