N-(2-methoxy-2-thiophen-3-ylethyl)-4-phenoxybenzamide

C20H19NO3S — CID 90583960

IUPACN-(2-methoxy-2-thiophen-3-ylethyl)-4-phenoxybenzamide
SMILESCOC(CNC(=O)c1ccc(Oc2ccccc2)cc1)c1ccsc1
InChIInChI=1S/C20H19NO3S/c1-23-19(16-11-12-25-14-16)13-21-20(22)15-7-9-18(10-8-15)24-17-5-3-2-4-6-17/h2-12,14,19H,13H2,1H3,(H,21,22)
InChIKeyHUPJLYPWJFSJKU-UHFFFAOYSA-N
MW353.44 g/mol
LogP4.66
Rot. Bonds7

About N-(2-methoxy-2-thiophen-3-ylethyl)-4-phenoxybenzamide

N-(2-methoxy-2-thiophen-3-ylethyl)-4-phenoxybenzamide (PubChem CID 90583960) has the molecular formula C20H19NO3S and a molecular weight of 353.44 g/mol. Its IUPAC name is N-(2-methoxy-2-thiophen-3-ylethyl)-4-phenoxybenzamide.

Molecular Properties

Compound NameN-(2-methoxy-2-thiophen-3-ylethyl)-4-phenoxybenzamide
PubChem CID90583960
Molecular FormulaC20H19NO3S
Molecular Weight353.44 g/mol
Exact Mass353.11
IUPAC NameN-(2-methoxy-2-thiophen-3-ylethyl)-4-phenoxybenzamide
SMILESCOC(CNC(=O)c1ccc(Oc2ccccc2)cc1)c1ccsc1
InChIInChI=1S/C20H19NO3S/c1-23-19(16-11-12-25-14-16)13-21-20(22)15-7-9-18(10-8-15)24-17-5-3-2-4-6-17/h2-12,14,19H,13H2,1H3,(H,21,22)
InChIKeyHUPJLYPWJFSJKU-UHFFFAOYSA-N
XLogP4.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-2-thiophen-3-ylethyl)thiophene-3-carboxamide
CID 71804732
4-ethyl-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583852
2-bromo-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583943
2,6-dimethoxy-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583915
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-4-thiophen-3-ylbenzamide
CID 90623429
1-benzyl-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea
CID 97414533
2-ethylsulfanyl-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide
CID 97414435
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
ethyl N-(2-methoxy-2-thiophen-3-ylethyl)carbamate
CID 71804729
1-(2-methoxyethyl)-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea
CID 97414529
N-(2-methoxy-2-thiophen-3-ylethyl)-4-phenyloxane-4-carboxamide
CID 90583951

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-thiophen-3-ylethyl)-4-phenoxybenzamide?
The IUPAC name of N-(2-methoxy-2-thiophen-3-ylethyl)-4-phenoxybenzamide (CID 90583960) is N-(2-methoxy-2-thiophen-3-ylethyl)-4-phenoxybenzamide.
What is the SMILES notation for N-(2-methoxy-2-thiophen-3-ylethyl)-4-phenoxybenzamide?
The canonical SMILES for N-(2-methoxy-2-thiophen-3-ylethyl)-4-phenoxybenzamide is COC(CNC(=O)c1ccc(Oc2ccccc2)cc1)c1ccsc1.
What is the InChIKey of N-(2-methoxy-2-thiophen-3-ylethyl)-4-phenoxybenzamide?
The InChIKey is HUPJLYPWJFSJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3S/c1-23-19(16-11-12-25-14-16)13-21-20(22)15-7-9-18(10-8-15)24-17-5-3-2-4-6-17/h2-12,14,19H,13H2,1H3,(H,21,22).
What are the key properties of N-(2-methoxy-2-thiophen-3-ylethyl)-4-phenoxybenzamide?
N-(2-methoxy-2-thiophen-3-ylethyl)-4-phenoxybenzamide has a molecular weight of 353.44 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-thiophen-3-ylethyl)-4-phenoxybenzamide is sourced from PubChem (CID 90583960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).