N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methylsulfanylbenzamide

C15H16ClNO2S2 — CID 91630971

IUPACN-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methylsulfanylbenzamide
SMILESCOC(CNC(=O)c1ccccc1SC)c1ccc(Cl)s1
InChIInChI=1S/C15H16ClNO2S2/c1-19-11(13-7-8-14(16)21-13)9-17-15(18)10-5-3-4-6-12(10)20-2/h3-8,11H,9H2,1-2H3,(H,17,18)
InChIKeyZDTZWGPSXVUGIK-UHFFFAOYSA-N
MW341.89 g/mol
LogP4.24
Rot. Bonds6

About N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methylsulfanylbenzamide

N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methylsulfanylbenzamide (PubChem CID 91630971) has the molecular formula C15H16ClNO2S2 and a molecular weight of 341.89 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methylsulfanylbenzamide
PubChem CID91630971
Molecular FormulaC15H16ClNO2S2
Molecular Weight341.89 g/mol
Exact Mass341.03
IUPAC NameN-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methylsulfanylbenzamide
SMILESCOC(CNC(=O)c1ccccc1SC)c1ccc(Cl)s1
InChIInChI=1S/C15H16ClNO2S2/c1-19-11(13-7-8-14(16)21-13)9-17-15(18)10-5-3-4-6-12(10)20-2/h3-8,11H,9H2,1-2H3,(H,17,18)
InChIKeyZDTZWGPSXVUGIK-UHFFFAOYSA-N
XLogP4.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.89
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 121180121
N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-methylsulfanylbenzamide
CID 90623724
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methyl-3-nitrobenzamide
CID 121180131
5-bromo-2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]benzamide
CID 121180187
5-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methoxybenzamide
CID 121180146
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide
CID 90597977
N-benzyl-N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]oxamide
CID 121180311
N-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-methyltriazole-4-carboxamide
CID 100728871
2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-5-nitrobenzamide
CID 121180166
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-benzofuran-2-carboxamide
CID 121180105
N-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]furan-3-carboxamide
CID 100728789
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]butanamide
CID 121180066

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methylsulfanylbenzamide (CID 91630971) is N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methylsulfanylbenzamide is COC(CNC(=O)c1ccccc1SC)c1ccc(Cl)s1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methylsulfanylbenzamide?
The InChIKey is ZDTZWGPSXVUGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S2/c1-19-11(13-7-8-14(16)21-13)9-17-15(18)10-5-3-4-6-12(10)20-2/h3-8,11H,9H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methylsulfanylbenzamide?
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methylsulfanylbenzamide has a molecular weight of 341.89 g/mol, XLogP of 4.24, 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)-2-methoxyethyl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 91630971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).