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

C19H18ClNO3S — CID 95058276

IUPAC5-chloro-3-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide
SMILESCOc1ccc([C@H](C)NC(=O)c2sc3ccc(Cl)cc3c2OC)cc1
InChIInChI=1S/C19H18ClNO3S/c1-11(12-4-7-14(23-2)8-5-12)21-19(22)18-17(24-3)15-10-13(20)6-9-16(15)25-18/h4-11H,1-3H3,(H,21,22)/t11-/m0/s1
InChIKeyAQAONQKDLHPXBO-NSHDSACASA-N
MW375.88 g/mol
LogP5.06
Rot. Bonds5

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

5-chloro-3-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide (PubChem CID 95058276) has the molecular formula C19H18ClNO3S and a molecular weight of 375.88 g/mol. Its IUPAC name is 5-chloro-3-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide
PubChem CID95058276
Molecular FormulaC19H18ClNO3S
Molecular Weight375.88 g/mol
Exact Mass375.07
IUPAC Name5-chloro-3-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide
SMILESCOc1ccc([C@H](C)NC(=O)c2sc3ccc(Cl)cc3c2OC)cc1
InChIInChI=1S/C19H18ClNO3S/c1-11(12-4-7-14(23-2)8-5-12)21-19(22)18-17(24-3)15-10-13(20)6-9-16(15)25-18/h4-11H,1-3H3,(H,21,22)/t11-/m0/s1
InChIKeyAQAONQKDLHPXBO-NSHDSACASA-N
XLogP5.06
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.88
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(1R)-1-(4-ethylphenyl)ethyl]-3-methoxy-1-benzothiophene-2-carboxamide
CID 95058282
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
5-chloro-2-hydroxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
CID 155540745
3,6-dichloro-N-[1-(3-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide
CID 2932611
5-chloro-3-iodo-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 58475128
4-chloro-N-[1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 60739451
N-benzyl-5-chloro-3-methoxy-1-benzothiophene-2-carboxamide
CID 50846024
2-amino-N-[1-(4-chlorophenyl)ethyl]-5-methoxybenzamide
CID 61118306
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
2-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 976730
1-(4-chloro-2-fluorophenyl)-3-[(1R)-1-(4-methoxyphenyl)ethyl]urea
CID 29039114

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-chloro-3-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide (CID 95058276) is 5-chloro-3-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-3-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-chloro-3-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide is COc1ccc([C@H](C)NC(=O)c2sc3ccc(Cl)cc3c2OC)cc1.
What is the InChIKey of 5-chloro-3-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is AQAONQKDLHPXBO-NSHDSACASA-N. The full InChI is InChI=1S/C19H18ClNO3S/c1-11(12-4-7-14(23-2)8-5-12)21-19(22)18-17(24-3)15-10-13(20)6-9-16(15)25-18/h4-11H,1-3H3,(H,21,22)/t11-/m0/s1.
What are the key properties of 5-chloro-3-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide?
5-chloro-3-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 375.88 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 95058276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).