N-[1-(5-chlorothiophen-2-yl)ethyl]-2,6-dihydroxybenzamide

C13H12ClNO3S — CID 103749027

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-2,6-dihydroxybenzamide
SMILESCC(NC(=O)c1c(O)cccc1O)c1ccc(Cl)s1
InChIInChI=1S/C13H12ClNO3S/c1-7(10-5-6-11(14)19-10)15-13(18)12-8(16)3-2-4-9(12)17/h2-7,16-17H,1H3,(H,15,18)
InChIKeyANZZNBKNSUIPEC-UHFFFAOYSA-N
MW297.76 g/mol
LogP3.30
Rot. Bonds3

About N-[1-(5-chlorothiophen-2-yl)ethyl]-2,6-dihydroxybenzamide

N-[1-(5-chlorothiophen-2-yl)ethyl]-2,6-dihydroxybenzamide (PubChem CID 103749027) has the molecular formula C13H12ClNO3S and a molecular weight of 297.76 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-2,6-dihydroxybenzamide.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-2,6-dihydroxybenzamide
PubChem CID103749027
Molecular FormulaC13H12ClNO3S
Molecular Weight297.76 g/mol
Exact Mass297.02
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-2,6-dihydroxybenzamide
SMILESCC(NC(=O)c1c(O)cccc1O)c1ccc(Cl)s1
InChIInChI=1S/C13H12ClNO3S/c1-7(10-5-6-11(14)19-10)15-13(18)12-8(16)3-2-4-9(12)17/h2-7,16-17H,1H3,(H,15,18)
InChIKeyANZZNBKNSUIPEC-UHFFFAOYSA-N
XLogP3.30
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.76
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide
CID 112575752
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 131207227
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-fluorobenzamide
CID 46419387
3-bromo-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide
CID 113362339
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzamide
CID 47168597
2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-hydroxybenzamide
CID 106501533
5-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-hydroxybenzamide
CID 107729705
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 39272941
methyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate
CID 115579886
1-(3-chlorophenyl)-3-[1-(5-chlorothiophen-2-yl)ethyl]urea
CID 17181664
2-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide
CID 107903709
1-butan-2-yl-3-[1-(5-chlorothiophen-2-yl)ethyl]urea
CID 17217672

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-2,6-dihydroxybenzamide?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-2,6-dihydroxybenzamide (CID 103749027) is N-[1-(5-chlorothiophen-2-yl)ethyl]-2,6-dihydroxybenzamide.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-2,6-dihydroxybenzamide?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-2,6-dihydroxybenzamide is CC(NC(=O)c1c(O)cccc1O)c1ccc(Cl)s1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-2,6-dihydroxybenzamide?
The InChIKey is ANZZNBKNSUIPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3S/c1-7(10-5-6-11(14)19-10)15-13(18)12-8(16)3-2-4-9(12)17/h2-7,16-17H,1H3,(H,15,18).
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-2,6-dihydroxybenzamide?
N-[1-(5-chlorothiophen-2-yl)ethyl]-2,6-dihydroxybenzamide has a molecular weight of 297.76 g/mol, XLogP of 3.30, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-2,6-dihydroxybenzamide is sourced from PubChem (CID 103749027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).