N-[2-(5-chlorothiophen-2-yl)ethyl]-3,4-dimethoxybenzamide

C15H16ClNO3S — CID 110787979

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCc2ccc(Cl)s2)cc1OC
InChIInChI=1S/C15H16ClNO3S/c1-19-12-5-3-10(9-13(12)20-2)15(18)17-8-7-11-4-6-14(16)21-11/h3-6,9H,7-8H2,1-2H3,(H,17,18)
InChIKeyFTKPYAZSYMVLDU-UHFFFAOYSA-N
MW325.82 g/mol
LogP3.39
Rot. Bonds6

About N-[2-(5-chlorothiophen-2-yl)ethyl]-3,4-dimethoxybenzamide

N-[2-(5-chlorothiophen-2-yl)ethyl]-3,4-dimethoxybenzamide (PubChem CID 110787979) has the molecular formula C15H16ClNO3S and a molecular weight of 325.82 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-3,4-dimethoxybenzamide
PubChem CID110787979
Molecular FormulaC15H16ClNO3S
Molecular Weight325.82 g/mol
Exact Mass325.05
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCc2ccc(Cl)s2)cc1OC
InChIInChI=1S/C15H16ClNO3S/c1-19-12-5-3-10(9-13(12)20-2)15(18)17-8-7-11-4-6-14(16)21-11/h3-6,9H,7-8H2,1-2H3,(H,17,18)
InChIKeyFTKPYAZSYMVLDU-UHFFFAOYSA-N
XLogP3.39
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-iodobenzamide
CID 106037004
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-hydrazinyl-3-methylbenzamide
CID 114139757
2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]pyridine-4-carboxamide
CID 106050315
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzamide
CID 103809483
3-acetamido-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzamide
CID 51091819
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylguanidine
CID 111214127
3,4-dimethoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110739313
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-5-ethoxybenzamide
CID 106033344
2-(5-chlorothiophen-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]ethanamine
CID 103617197
2-(5-chlorothiophen-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 110767682
3,4-dimethoxy-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]benzamide
CID 91831542
[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 55448931

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-3,4-dimethoxybenzamide (CID 110787979) is N-[2-(5-chlorothiophen-2-yl)ethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCCc2ccc(Cl)s2)cc1OC.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-3,4-dimethoxybenzamide?
The InChIKey is FTKPYAZSYMVLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3S/c1-19-12-5-3-10(9-13(12)20-2)15(18)17-8-7-11-4-6-14(16)21-11/h3-6,9H,7-8H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-3,4-dimethoxybenzamide?
N-[2-(5-chlorothiophen-2-yl)ethyl]-3,4-dimethoxybenzamide has a molecular weight of 325.82 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 110787979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).