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

C16H18ClNO3S — CID 78788909

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2,5-dimethoxybenzamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C16H18ClNO3S/c1-4-18(10-12-6-8-15(17)22-12)16(19)13-9-11(20-2)5-7-14(13)21-3/h5-9H,4,10H2,1-3H3
InChIKeyVPTDYGNODOFMHS-UHFFFAOYSA-N
MW339.84 g/mol
LogP4.08
Rot. Bonds6

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

N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2,5-dimethoxybenzamide (PubChem CID 78788909) has the molecular formula C16H18ClNO3S and a molecular weight of 339.84 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2,5-dimethoxybenzamide
PubChem CID78788909
Molecular FormulaC16H18ClNO3S
Molecular Weight339.84 g/mol
Exact Mass339.07
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2,5-dimethoxybenzamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C16H18ClNO3S/c1-4-18(10-12-6-8-15(17)22-12)16(19)13-9-11(20-2)5-7-14(13)21-3/h5-9H,4,10H2,1-3H3
InChIKeyVPTDYGNODOFMHS-UHFFFAOYSA-N
XLogP4.08
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.84
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,5-dimethoxybenzamide
CID 26708054
3-(2-chloro-4-methoxyphenyl)-1-[(5-chlorothiophen-2-yl)methyl]-1-ethylurea
CID 86862833
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 9337841
3-(5-bromo-2-methoxyphenyl)-1-[(5-chlorothiophen-2-yl)methyl]-1-ethylurea
CID 60562828
5-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methylbenzamide;hydrochloride
CID 120618102
5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide
CID 60646115
3,5-diamino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide
CID 61116550
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide
CID 61116379
3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-ethoxy-N-ethyl-4-hydroxybenzamide
CID 112811138
2-[4-[(5-chlorothiophen-2-yl)methyl-ethylcarbamoyl]-2-ethoxyphenoxy]acetic acid
CID 119179644
(E)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 24655695
N-[(5-chlorothiophen-2-yl)methyl]-2-ethoxy-N-ethylacetamide
CID 60721620

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2,5-dimethoxybenzamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2,5-dimethoxybenzamide (CID 78788909) is N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2,5-dimethoxybenzamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2,5-dimethoxybenzamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2,5-dimethoxybenzamide is CCN(Cc1ccc(Cl)s1)C(=O)c1cc(OC)ccc1OC.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2,5-dimethoxybenzamide?
The InChIKey is VPTDYGNODOFMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3S/c1-4-18(10-12-6-8-15(17)22-12)16(19)13-9-11(20-2)5-7-14(13)21-3/h5-9H,4,10H2,1-3H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2,5-dimethoxybenzamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2,5-dimethoxybenzamide has a molecular weight of 339.84 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2,5-dimethoxybenzamide is sourced from PubChem (CID 78788909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).