5-chloro-N-[(2-ethoxyphenyl)methyl]-3-methoxy-1-benzothiophene-2-carboxamide

C19H18ClNO3S — CID 50845732

IUPAC5-chloro-N-[(2-ethoxyphenyl)methyl]-3-methoxy-1-benzothiophene-2-carboxamide
SMILESCCOc1ccccc1CNC(=O)c1sc2ccc(Cl)cc2c1OC
InChIInChI=1S/C19H18ClNO3S/c1-3-24-15-7-5-4-6-12(15)11-21-19(22)18-17(23-2)14-10-13(20)8-9-16(14)25-18/h4-10H,3,11H2,1-2H3,(H,21,22)
InChIKeyQGGGQZUSWAJMTP-UHFFFAOYSA-N
MW375.88 g/mol
LogP4.89
Rot. Bonds6

About 5-chloro-N-[(2-ethoxyphenyl)methyl]-3-methoxy-1-benzothiophene-2-carboxamide

5-chloro-N-[(2-ethoxyphenyl)methyl]-3-methoxy-1-benzothiophene-2-carboxamide (PubChem CID 50845732) has the molecular formula C19H18ClNO3S and a molecular weight of 375.88 g/mol. Its IUPAC name is 5-chloro-N-[(2-ethoxyphenyl)methyl]-3-methoxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2-ethoxyphenyl)methyl]-3-methoxy-1-benzothiophene-2-carboxamide
PubChem CID50845732
Molecular FormulaC19H18ClNO3S
Molecular Weight375.88 g/mol
Exact Mass375.07
IUPAC Name5-chloro-N-[(2-ethoxyphenyl)methyl]-3-methoxy-1-benzothiophene-2-carboxamide
SMILESCCOc1ccccc1CNC(=O)c1sc2ccc(Cl)cc2c1OC
InChIInChI=1S/C19H18ClNO3S/c1-3-24-15-7-5-4-6-12(15)11-21-19(22)18-17(23-2)14-10-13(20)8-9-16(14)25-18/h4-10H,3,11H2,1-2H3,(H,21,22)
InChIKeyQGGGQZUSWAJMTP-UHFFFAOYSA-N
XLogP4.89
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-5-chloro-3-methoxy-1-benzothiophene-2-carboxamide
CID 50846024
4-chloro-N-[(2-ethoxyphenyl)methyl]-2-fluorobenzamide
CID 94472484
6-chloro-N-[(4-fluorophenyl)methyl]-3-methoxy-1-benzothiophene-2-carboxamide
CID 50846058
N-[(2-ethoxyphenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 38009470
3-chloro-N-[(2,4-dimethoxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 23654864
N-[(2-ethoxyphenyl)methyl]-2,5-difluorobenzamide
CID 71822129
N-benzyl-5-chloro-N-ethyl-3-methoxy-1-benzothiophene-2-carboxamide
CID 50845793
N-[(2-ethoxyphenyl)methyl]-3-methoxy-4-methylbenzamide
CID 60565957
3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]benzamide
CID 71822422
N-[(2-chlorophenyl)methyl]-4-fluoro-3-methoxy-1-benzothiophene-2-carboxamide
CID 50845820
5-chloro-2-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
CID 26586354
3-amino-N-[(2-ethoxyphenyl)methyl]propanamide
CID 82677450

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-ethoxyphenyl)methyl]-3-methoxy-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[(2-ethoxyphenyl)methyl]-3-methoxy-1-benzothiophene-2-carboxamide (CID 50845732) is 5-chloro-N-[(2-ethoxyphenyl)methyl]-3-methoxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2-ethoxyphenyl)methyl]-3-methoxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(2-ethoxyphenyl)methyl]-3-methoxy-1-benzothiophene-2-carboxamide is CCOc1ccccc1CNC(=O)c1sc2ccc(Cl)cc2c1OC.
What is the InChIKey of 5-chloro-N-[(2-ethoxyphenyl)methyl]-3-methoxy-1-benzothiophene-2-carboxamide?
The InChIKey is QGGGQZUSWAJMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO3S/c1-3-24-15-7-5-4-6-12(15)11-21-19(22)18-17(23-2)14-10-13(20)8-9-16(14)25-18/h4-10H,3,11H2,1-2H3,(H,21,22).
What are the key properties of 5-chloro-N-[(2-ethoxyphenyl)methyl]-3-methoxy-1-benzothiophene-2-carboxamide?
5-chloro-N-[(2-ethoxyphenyl)methyl]-3-methoxy-1-benzothiophene-2-carboxamide has a molecular weight of 375.88 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-ethoxyphenyl)methyl]-3-methoxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 50845732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).