N-(5-tert-butyl-2-methoxyphenyl)-7-chloro-1-benzothiophene-2-carboxamide

C20H20ClNO2S — CID 11740094

IUPACN-(5-tert-butyl-2-methoxyphenyl)-7-chloro-1-benzothiophene-2-carboxamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)c1cc2cccc(Cl)c2s1
InChIInChI=1S/C20H20ClNO2S/c1-20(2,3)13-8-9-16(24-4)15(11-13)22-19(23)17-10-12-6-5-7-14(21)18(12)25-17/h5-11H,1-4H3,(H,22,23)
InChIKeyPZICXSMGOJFIAH-UHFFFAOYSA-N
MW373.91 g/mol
LogP6.11
Rot. Bonds3

About N-(5-tert-butyl-2-methoxyphenyl)-7-chloro-1-benzothiophene-2-carboxamide

N-(5-tert-butyl-2-methoxyphenyl)-7-chloro-1-benzothiophene-2-carboxamide (PubChem CID 11740094) has the molecular formula C20H20ClNO2S and a molecular weight of 373.91 g/mol. Its IUPAC name is N-(5-tert-butyl-2-methoxyphenyl)-7-chloro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-methoxyphenyl)-7-chloro-1-benzothiophene-2-carboxamide
PubChem CID11740094
Molecular FormulaC20H20ClNO2S
Molecular Weight373.91 g/mol
Exact Mass373.09
IUPAC NameN-(5-tert-butyl-2-methoxyphenyl)-7-chloro-1-benzothiophene-2-carboxamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)c1cc2cccc(Cl)c2s1
InChIInChI=1S/C20H20ClNO2S/c1-20(2,3)13-8-9-16(24-4)15(11-13)22-19(23)17-10-12-6-5-7-14(21)18(12)25-17/h5-11H,1-4H3,(H,22,23)
InChIKeyPZICXSMGOJFIAH-UHFFFAOYSA-N
XLogP6.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.91
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-tert-butyl-2-methoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
CID 20604815
N-(5-tert-butyl-2-methoxyphenyl)-3,4,5,6-tetrachloropyridine-2-carboxamide
CID 18270916
3-bromo-N-(5-tert-butyl-2-methoxyphenyl)benzamide
CID 2669093
N-(5-tert-butyl-2-methoxyphenyl)-4-propan-2-ylbenzamide
CID 7935956
N-(2,5-dimethoxyphenyl)-1-benzothiophene-2-carboxamide
CID 27844583
3-acetamido-N-(5-tert-butyl-2-methoxyphenyl)benzamide
CID 167854424
N-(5-tert-butyl-2-methoxyphenyl)-2-fluorobenzamide
CID 2086520
[2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 2-chlorobenzoate
CID 3394111
N-(5-tert-butyl-2-methoxyphenyl)-2-(naphthalen-1-ylamino)acetamide
CID 2456629
N-(5-tert-butyl-2-methoxyphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 7668881
N-(5-tert-butyl-2-methoxyphenyl)-2-(4-chloro-2,5-dimethoxyanilino)acetamide
CID 4885055
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CID 17298469

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-7-chloro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-7-chloro-1-benzothiophene-2-carboxamide (CID 11740094) is N-(5-tert-butyl-2-methoxyphenyl)-7-chloro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-2-methoxyphenyl)-7-chloro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(5-tert-butyl-2-methoxyphenyl)-7-chloro-1-benzothiophene-2-carboxamide is COc1ccc(C(C)(C)C)cc1NC(=O)c1cc2cccc(Cl)c2s1.
What is the InChIKey of N-(5-tert-butyl-2-methoxyphenyl)-7-chloro-1-benzothiophene-2-carboxamide?
The InChIKey is PZICXSMGOJFIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO2S/c1-20(2,3)13-8-9-16(24-4)15(11-13)22-19(23)17-10-12-6-5-7-14(21)18(12)25-17/h5-11H,1-4H3,(H,22,23).
What are the key properties of N-(5-tert-butyl-2-methoxyphenyl)-7-chloro-1-benzothiophene-2-carboxamide?
N-(5-tert-butyl-2-methoxyphenyl)-7-chloro-1-benzothiophene-2-carboxamide has a molecular weight of 373.91 g/mol, XLogP of 6.11, 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)-7-chloro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 11740094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).