N-[2-(2-methoxyphenyl)ethyl]-3-methyl-1-benzothiophene-2-carboxamide

C19H19NO2S — CID 31115481

IUPACN-[2-(2-methoxyphenyl)ethyl]-3-methyl-1-benzothiophene-2-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1sc2ccccc2c1C
InChIInChI=1S/C19H19NO2S/c1-13-15-8-4-6-10-17(15)23-18(13)19(21)20-12-11-14-7-3-5-9-16(14)22-2/h3-10H,11-12H2,1-2H3,(H,20,21)
InChIKeyGYUBJIDQQVKDDR-UHFFFAOYSA-N
MW325.43 g/mol
LogP4.19
Rot. Bonds5

About N-[2-(2-methoxyphenyl)ethyl]-3-methyl-1-benzothiophene-2-carboxamide

N-[2-(2-methoxyphenyl)ethyl]-3-methyl-1-benzothiophene-2-carboxamide (PubChem CID 31115481) has the molecular formula C19H19NO2S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-3-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-3-methyl-1-benzothiophene-2-carboxamide
PubChem CID31115481
Molecular FormulaC19H19NO2S
Molecular Weight325.43 g/mol
Exact Mass325.11
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-3-methyl-1-benzothiophene-2-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1sc2ccccc2c1C
InChIInChI=1S/C19H19NO2S/c1-13-15-8-4-6-10-17(15)23-18(13)19(21)20-12-11-14-7-3-5-9-16(14)22-2/h3-10H,11-12H2,1-2H3,(H,20,21)
InChIKeyGYUBJIDQQVKDDR-UHFFFAOYSA-N
XLogP4.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 27645794
N-[2-(2-methoxyphenyl)ethyl]-3-methylthiophene-2-carboxamide
CID 31115178
2-chloro-N-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 91821697
3-methyl-N-[3-(methylamino)-3-oxopropyl]-1-benzothiophene-2-carboxamide
CID 47068455
N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 8911194
N-[2-(2-methoxyphenyl)ethyl]-2,3-dimethylbenzamide
CID 26778040
5-chloro-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 17173387
N-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 18160860
N'-(2-methoxyethyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 44996618
2,6-dichloro-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 112766523
2-(3,4-dimethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8911158
N-[2-(2-methoxyphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide
CID 31115490

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-3-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-3-methyl-1-benzothiophene-2-carboxamide (CID 31115481) is N-[2-(2-methoxyphenyl)ethyl]-3-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-3-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-3-methyl-1-benzothiophene-2-carboxamide is COc1ccccc1CCNC(=O)c1sc2ccccc2c1C.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-3-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is GYUBJIDQQVKDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2S/c1-13-15-8-4-6-10-17(15)23-18(13)19(21)20-12-11-14-7-3-5-9-16(14)22-2/h3-10H,11-12H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-3-methyl-1-benzothiophene-2-carboxamide?
N-[2-(2-methoxyphenyl)ethyl]-3-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 325.43 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-3-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 31115481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).