N-[(5-chlorothiophen-2-yl)methyl]-4-hydroxy-3-methylbenzamide

C13H12ClNO2S — CID 103956442

IUPACN-[(5-chlorothiophen-2-yl)methyl]-4-hydroxy-3-methylbenzamide
SMILESCc1cc(C(=O)NCc2ccc(Cl)s2)ccc1O
InChIInChI=1S/C13H12ClNO2S/c1-8-6-9(2-4-11(8)16)13(17)15-7-10-3-5-12(14)18-10/h2-6,16H,7H2,1H3,(H,15,17)
InChIKeyKXYZWCJUONPINW-UHFFFAOYSA-N
MW281.76 g/mol
LogP3.35
Rot. Bonds3

About N-[(5-chlorothiophen-2-yl)methyl]-4-hydroxy-3-methylbenzamide

N-[(5-chlorothiophen-2-yl)methyl]-4-hydroxy-3-methylbenzamide (PubChem CID 103956442) has the molecular formula C13H12ClNO2S and a molecular weight of 281.76 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-4-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-4-hydroxy-3-methylbenzamide
PubChem CID103956442
Molecular FormulaC13H12ClNO2S
Molecular Weight281.76 g/mol
Exact Mass281.03
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-4-hydroxy-3-methylbenzamide
SMILESCc1cc(C(=O)NCc2ccc(Cl)s2)ccc1O
InChIInChI=1S/C13H12ClNO2S/c1-8-6-9(2-4-11(8)16)13(17)15-7-10-3-5-12(14)18-10/h2-6,16H,7H2,1H3,(H,15,17)
InChIKeyKXYZWCJUONPINW-UHFFFAOYSA-N
XLogP3.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-3-hydroxy-4-iodobenzamide
CID 113434669
4-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-hydroxybenzamide
CID 113228296
3,5-dibromo-N-[(5-chlorothiophen-2-yl)methyl]benzamide
CID 114023582
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-hydroxy-3-methylbenzamide
CID 103957294
4-hydroxy-3-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 103951655
N-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroxybenzamide
CID 114344423
3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-4-(3-hydroxyprop-1-ynyl)benzamide
CID 81292831
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-hydrazinyl-3-methylbenzamide
CID 114139757
N-[(5-benzoylthiophen-2-yl)methyl]-3,4-dimethylbenzamide
CID 90612882
2,6-dichloro-N-[(5-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 55021338
3-amino-4-chloro-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 62055195
4-hydroxy-N-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-3-methylbenzamide
CID 107672392

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-4-hydroxy-3-methylbenzamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-4-hydroxy-3-methylbenzamide (CID 103956442) is N-[(5-chlorothiophen-2-yl)methyl]-4-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-4-hydroxy-3-methylbenzamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-4-hydroxy-3-methylbenzamide is Cc1cc(C(=O)NCc2ccc(Cl)s2)ccc1O.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-4-hydroxy-3-methylbenzamide?
The InChIKey is KXYZWCJUONPINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2S/c1-8-6-9(2-4-11(8)16)13(17)15-7-10-3-5-12(14)18-10/h2-6,16H,7H2,1H3,(H,15,17).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-4-hydroxy-3-methylbenzamide?
N-[(5-chlorothiophen-2-yl)methyl]-4-hydroxy-3-methylbenzamide has a molecular weight of 281.76 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-4-hydroxy-3-methylbenzamide is sourced from PubChem (CID 103956442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).