2-ethylsulfanyl-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide

C16H19NO2S2 — CID 97414435

IUPAC2-ethylsulfanyl-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide
SMILESCCSc1ccccc1C(=O)NC[C@H](OC)c1ccsc1
InChIInChI=1S/C16H19NO2S2/c1-3-21-15-7-5-4-6-13(15)16(18)17-10-14(19-2)12-8-9-20-11-12/h4-9,11,14H,3,10H2,1-2H3,(H,17,18)/t14-/m0/s1
InChIKeyFZNPPUILEXJGDV-AWEZNQCLSA-N
MW321.47 g/mol
LogP3.98
Rot. Bonds7

About 2-ethylsulfanyl-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide

2-ethylsulfanyl-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide (PubChem CID 97414435) has the molecular formula C16H19NO2S2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide
PubChem CID97414435
Molecular FormulaC16H19NO2S2
Molecular Weight321.47 g/mol
Exact Mass321.09
IUPAC Name2-ethylsulfanyl-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide
SMILESCCSc1ccccc1C(=O)NC[C@H](OC)c1ccsc1
InChIInChI=1S/C16H19NO2S2/c1-3-21-15-7-5-4-6-13(15)16(18)17-10-14(19-2)12-8-9-20-11-12/h4-9,11,14H,3,10H2,1-2H3,(H,17,18)/t14-/m0/s1
InChIKeyFZNPPUILEXJGDV-AWEZNQCLSA-N
XLogP3.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583943
N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-ethylsulfanylbenzamide
CID 90623752
N-(2-methoxy-2-thiophen-3-ylethyl)thiophene-3-carboxamide
CID 71804732
2,6-dimethoxy-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583915
ethyl N-(2-methoxy-2-thiophen-3-ylethyl)carbamate
CID 71804729
4-ethyl-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583852
N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-3-ylethyl]-2-ethylsulfanylbenzamide
CID 126850924
N-(2-methoxy-2-thiophen-3-ylethyl)-4-phenoxybenzamide
CID 90583960
N-(2-methoxy-2-thiophen-3-ylethyl)-2-oxochromene-3-carboxamide
CID 90583931
2-bromo-5-methoxy-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583971
4-bromo-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide
CID 97427365
1-benzyl-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea
CID 97414533

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide?
The IUPAC name of 2-ethylsulfanyl-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide (CID 97414435) is 2-ethylsulfanyl-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide.
What is the SMILES notation for 2-ethylsulfanyl-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide?
The canonical SMILES for 2-ethylsulfanyl-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide is CCSc1ccccc1C(=O)NC[C@H](OC)c1ccsc1.
What is the InChIKey of 2-ethylsulfanyl-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide?
The InChIKey is FZNPPUILEXJGDV-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19NO2S2/c1-3-21-15-7-5-4-6-13(15)16(18)17-10-14(19-2)12-8-9-20-11-12/h4-9,11,14H,3,10H2,1-2H3,(H,17,18)/t14-/m0/s1.
What are the key properties of 2-ethylsulfanyl-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide?
2-ethylsulfanyl-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide has a molecular weight of 321.47 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide is sourced from PubChem (CID 97414435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).