2-ethoxy-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]naphthalene-1-carboxamide

C20H21NO3S — CID 97414456

IUPAC2-ethoxy-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]naphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)NC[C@@H](OC)c1ccsc1
InChIInChI=1S/C20H21NO3S/c1-3-24-17-9-8-14-6-4-5-7-16(14)19(17)20(22)21-12-18(23-2)15-10-11-25-13-15/h4-11,13,18H,3,12H2,1-2H3,(H,21,22)/t18-/m1/s1
InChIKeyNWMDOSWXKZYUKV-GOSISDBHSA-N
MW355.46 g/mol
LogP4.42
Rot. Bonds7

About 2-ethoxy-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]naphthalene-1-carboxamide

2-ethoxy-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]naphthalene-1-carboxamide (PubChem CID 97414456) has the molecular formula C20H21NO3S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-ethoxy-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]naphthalene-1-carboxamide
PubChem CID97414456
Molecular FormulaC20H21NO3S
Molecular Weight355.46 g/mol
Exact Mass355.12
IUPAC Name2-ethoxy-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]naphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)NC[C@@H](OC)c1ccsc1
InChIInChI=1S/C20H21NO3S/c1-3-24-17-9-8-14-6-4-5-7-16(14)19(17)20(22)21-12-18(23-2)15-10-11-25-13-15/h4-11,13,18H,3,12H2,1-2H3,(H,21,22)/t18-/m1/s1
InChIKeyNWMDOSWXKZYUKV-GOSISDBHSA-N
XLogP4.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethoxy-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583915
ethyl N-(2-methoxy-2-thiophen-3-ylethyl)carbamate
CID 71804729
N-(2-methoxy-2-thiophen-3-ylethyl)thiophene-3-carboxamide
CID 71804732
2-ethylsulfanyl-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide
CID 97414435
2-bromo-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583943
2-ethoxy-N-[(2R)-2-ethylhexyl]naphthalene-1-carboxamide
CID 9497344
1-benzyl-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea
CID 97414533
4-ethyl-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583852
2-ethoxy-N-(3-hydroxy-3-phenylpropyl)naphthalene-1-carboxamide
CID 90499582
N-(2-methoxy-2-thiophen-3-ylethyl)-4-phenoxybenzamide
CID 90583960
1-(2-methoxyethyl)-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea
CID 97414529
N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]-2-ethoxynaphthalene-1-carboxamide
CID 509333

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]naphthalene-1-carboxamide?
The IUPAC name of 2-ethoxy-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]naphthalene-1-carboxamide (CID 97414456) is 2-ethoxy-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]naphthalene-1-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]naphthalene-1-carboxamide?
The canonical SMILES for 2-ethoxy-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]naphthalene-1-carboxamide is CCOc1ccc2ccccc2c1C(=O)NC[C@@H](OC)c1ccsc1.
What is the InChIKey of 2-ethoxy-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]naphthalene-1-carboxamide?
The InChIKey is NWMDOSWXKZYUKV-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21NO3S/c1-3-24-17-9-8-14-6-4-5-7-16(14)19(17)20(22)21-12-18(23-2)15-10-11-25-13-15/h4-11,13,18H,3,12H2,1-2H3,(H,21,22)/t18-/m1/s1.
What are the key properties of 2-ethoxy-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]naphthalene-1-carboxamide?
2-ethoxy-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]naphthalene-1-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 97414456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).