5-chloro-N-[(1R)-1-(4-ethylphenyl)ethyl]-3-methoxy-1-benzothiophene-2-carboxamide

C20H20ClNO2S — CID 95058282

IUPAC5-chloro-N-[(1R)-1-(4-ethylphenyl)ethyl]-3-methoxy-1-benzothiophene-2-carboxamide
SMILESCCc1ccc([C@@H](C)NC(=O)c2sc3ccc(Cl)cc3c2OC)cc1
InChIInChI=1S/C20H20ClNO2S/c1-4-13-5-7-14(8-6-13)12(2)22-20(23)19-18(24-3)16-11-15(21)9-10-17(16)25-19/h5-12H,4H2,1-3H3,(H,22,23)/t12-/m1/s1
InChIKeyUEDXSQJMVQZNAE-GFCCVEGCSA-N
MW373.91 g/mol
LogP5.62
Rot. Bonds5

About 5-chloro-N-[(1R)-1-(4-ethylphenyl)ethyl]-3-methoxy-1-benzothiophene-2-carboxamide

5-chloro-N-[(1R)-1-(4-ethylphenyl)ethyl]-3-methoxy-1-benzothiophene-2-carboxamide (PubChem CID 95058282) has the molecular formula C20H20ClNO2S and a molecular weight of 373.91 g/mol. Its IUPAC name is 5-chloro-N-[(1R)-1-(4-ethylphenyl)ethyl]-3-methoxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1R)-1-(4-ethylphenyl)ethyl]-3-methoxy-1-benzothiophene-2-carboxamide
PubChem CID95058282
Molecular FormulaC20H20ClNO2S
Molecular Weight373.91 g/mol
Exact Mass373.09
IUPAC Name5-chloro-N-[(1R)-1-(4-ethylphenyl)ethyl]-3-methoxy-1-benzothiophene-2-carboxamide
SMILESCCc1ccc([C@@H](C)NC(=O)c2sc3ccc(Cl)cc3c2OC)cc1
InChIInChI=1S/C20H20ClNO2S/c1-4-13-5-7-14(8-6-13)12(2)22-20(23)19-18(24-3)16-11-15(21)9-10-17(16)25-19/h5-12H,4H2,1-3H3,(H,22,23)/t12-/m1/s1
InChIKeyUEDXSQJMVQZNAE-GFCCVEGCSA-N
XLogP5.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.91
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-3-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide
CID 95058276
6-chloro-3-methoxy-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 53014216
5-fluoro-3-methoxy-N-[(1R)-1-phenylethyl]-1-benzothiophene-2-carboxamide
CID 95058267
N-benzyl-5-chloro-3-methoxy-1-benzothiophene-2-carboxamide
CID 50846024
3-chloro-N-[1-(4-ethylphenyl)ethyl]-4-methoxybenzamide
CID 133210299
6-chloro-N-[(4-fluorophenyl)methyl]-3-methoxy-1-benzothiophene-2-carboxamide
CID 50846058
3,6-dichloro-N-[1-(3-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide
CID 2932611
2-(4-chlorophenyl)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 93236026
5-chloro-N-[(2-ethoxyphenyl)methyl]-3-methoxy-1-benzothiophene-2-carboxamide
CID 50845732
N-[(1S)-1-(4-ethylphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 100712064
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 8636133
N-(2,4-dichlorophenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide
CID 108502742

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1R)-1-(4-ethylphenyl)ethyl]-3-methoxy-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[(1R)-1-(4-ethylphenyl)ethyl]-3-methoxy-1-benzothiophene-2-carboxamide (CID 95058282) is 5-chloro-N-[(1R)-1-(4-ethylphenyl)ethyl]-3-methoxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1R)-1-(4-ethylphenyl)ethyl]-3-methoxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(1R)-1-(4-ethylphenyl)ethyl]-3-methoxy-1-benzothiophene-2-carboxamide is CCc1ccc([C@@H](C)NC(=O)c2sc3ccc(Cl)cc3c2OC)cc1.
What is the InChIKey of 5-chloro-N-[(1R)-1-(4-ethylphenyl)ethyl]-3-methoxy-1-benzothiophene-2-carboxamide?
The InChIKey is UEDXSQJMVQZNAE-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H20ClNO2S/c1-4-13-5-7-14(8-6-13)12(2)22-20(23)19-18(24-3)16-11-15(21)9-10-17(16)25-19/h5-12H,4H2,1-3H3,(H,22,23)/t12-/m1/s1.
What are the key properties of 5-chloro-N-[(1R)-1-(4-ethylphenyl)ethyl]-3-methoxy-1-benzothiophene-2-carboxamide?
5-chloro-N-[(1R)-1-(4-ethylphenyl)ethyl]-3-methoxy-1-benzothiophene-2-carboxamide has a molecular weight of 373.91 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1R)-1-(4-ethylphenyl)ethyl]-3-methoxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 95058282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).