N-(5-tert-butyl-2-methoxyphenyl)-1-benzothiophene-2-carboxamide

C20H21NO2S — CID 7579574

IUPACN-(5-tert-butyl-2-methoxyphenyl)-1-benzothiophene-2-carboxamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)c1cc2ccccc2s1
InChIInChI=1S/C20H21NO2S/c1-20(2,3)14-9-10-16(23-4)15(12-14)21-19(22)18-11-13-7-5-6-8-17(13)24-18/h5-12H,1-4H3,(H,21,22)
InChIKeyUGEAZCDVIIZTLM-UHFFFAOYSA-N
MW339.46 g/mol
LogP5.46
Rot. Bonds3

About N-(5-tert-butyl-2-methoxyphenyl)-1-benzothiophene-2-carboxamide

N-(5-tert-butyl-2-methoxyphenyl)-1-benzothiophene-2-carboxamide (PubChem CID 7579574) has the molecular formula C20H21NO2S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-(5-tert-butyl-2-methoxyphenyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-methoxyphenyl)-1-benzothiophene-2-carboxamide
PubChem CID7579574
Molecular FormulaC20H21NO2S
Molecular Weight339.46 g/mol
Exact Mass339.13
IUPAC NameN-(5-tert-butyl-2-methoxyphenyl)-1-benzothiophene-2-carboxamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)c1cc2ccccc2s1
InChIInChI=1S/C20H21NO2S/c1-20(2,3)14-9-10-16(23-4)15(12-14)21-19(22)18-11-13-7-5-6-8-17(13)24-18/h5-12H,1-4H3,(H,21,22)
InChIKeyUGEAZCDVIIZTLM-UHFFFAOYSA-N
XLogP5.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.46
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)benzo[b]thiophene-2-carboxamide
CID 9888555
5-iodo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1-benzothiophene-2-carboxamide
CID 44393372
5-ethynyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1-benzothiophene-2-carboxamide
CID 44419053
6-ethynyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1-benzothiophene-2-carboxamide
CID 44419056
Thiophene-2-carboxylic acid (4-methoxy-biphenyl-3-yl)-amide
CID 1109361
N-{2-[(2-methoxyanilino)carbonyl]phenyl}-2-thiophenecarboxamide
CID 1116978
N-(2-ethoxyphenyl)-2-[(phenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3698937
1-Benzo[b]thiophen-3-yl-3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propan-1-one
CID 9842861
N-hydroxy-6-(2-(4-methoxyphenyl)acetamido)benzo[b]thiophene-2-carboxamide
CID 11164133
N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1-benzothiophene-2-carboxamide
CID 42626315
N-(2-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 748470
N-{3-methoxy-4-[(phenylacetyl)amino]phenyl}-2-thiophenecarboxamide
CID 1298832

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-1-benzothiophene-2-carboxamide (CID 7579574) is N-(5-tert-butyl-2-methoxyphenyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-2-methoxyphenyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(5-tert-butyl-2-methoxyphenyl)-1-benzothiophene-2-carboxamide is COc1ccc(C(C)(C)C)cc1NC(=O)c1cc2ccccc2s1.
What is the InChIKey of N-(5-tert-butyl-2-methoxyphenyl)-1-benzothiophene-2-carboxamide?
The InChIKey is UGEAZCDVIIZTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2S/c1-20(2,3)14-9-10-16(23-4)15(12-14)21-19(22)18-11-13-7-5-6-8-17(13)24-18/h5-12H,1-4H3,(H,21,22).
What are the key properties of N-(5-tert-butyl-2-methoxyphenyl)-1-benzothiophene-2-carboxamide?
N-(5-tert-butyl-2-methoxyphenyl)-1-benzothiophene-2-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 5.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-methoxyphenyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 7579574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).