6-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide

C21H22N2O5S — CID 87619661

IUPAC6-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide
SMILESCCOc1ccc(CC(=O)Nc2ccc3cc(C(=O)NO)sc3c2)cc1OCC
InChIInChI=1S/C21H22N2O5S/c1-3-27-16-8-5-13(9-17(16)28-4-2)10-20(24)22-15-7-6-14-11-19(21(25)23-26)29-18(14)12-15/h5-9,11-12,26H,3-4,10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyICNMSDQYZABNKT-UHFFFAOYSA-N
MW414.48 g/mol
LogP4.00
Rot. Bonds8

About 6-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide

6-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide (PubChem CID 87619661) has the molecular formula C21H22N2O5S and a molecular weight of 414.48 g/mol. Its IUPAC name is 6-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name6-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide
PubChem CID87619661
Molecular FormulaC21H22N2O5S
Molecular Weight414.48 g/mol
Exact Mass414.12
IUPAC Name6-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide
SMILESCCOc1ccc(CC(=O)Nc2ccc3cc(C(=O)NO)sc3c2)cc1OCC
InChIInChI=1S/C21H22N2O5S/c1-3-27-16-8-5-13(9-17(16)28-4-2)10-20(24)22-15-7-6-14-11-19(21(25)23-26)29-18(14)12-15/h5-9,11-12,26H,3-4,10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyICNMSDQYZABNKT-UHFFFAOYSA-N
XLogP4.00
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide
CID 11855386
N-(3,4-diethoxyphenyl)-1-benzothiophene-2-carboxamide
CID 42091036
N-(3,4-diethoxyphenyl)-2-sulfanylacetamide
CID 60650095
methyl 5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzothiophene-2-carboxylate
CID 28558079
N-[5-[[2-(3,4-diethoxyphenyl)acetyl]amino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
CID 46328732
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71823029
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
N-(3,4-diethoxyphenyl)-2-(methylamino)acetamide
CID 2452186
methyl 2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 5139669
2-(3,4-dimethoxyphenyl)-N-(2-ethyl-1,3-benzothiazol-6-yl)acetamide
CID 30152451
2-(3,4-diethoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 71713490
5-chloro-N-(3,4-diethoxyphenyl)thiophene-2-carboxamide
CID 26212642

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide?
The IUPAC name of 6-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide (CID 87619661) is 6-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 6-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for 6-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide is CCOc1ccc(CC(=O)Nc2ccc3cc(C(=O)NO)sc3c2)cc1OCC.
What is the InChIKey of 6-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide?
The InChIKey is ICNMSDQYZABNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5S/c1-3-27-16-8-5-13(9-17(16)28-4-2)10-20(24)22-15-7-6-14-11-19(21(25)23-26)29-18(14)12-15/h5-9,11-12,26H,3-4,10H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 6-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide?
6-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide has a molecular weight of 414.48 g/mol, XLogP of 4.00, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 87619661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).