5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide

C19H18N2O5S — CID 11855386

IUPAC5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide
SMILESCOc1ccc(CC(=O)Nc2ccc3sc(C(=O)NO)cc3c2)cc1OC
InChIInChI=1S/C19H18N2O5S/c1-25-14-5-3-11(7-15(14)26-2)8-18(22)20-13-4-6-16-12(9-13)10-17(27-16)19(23)21-24/h3-7,9-10,24H,8H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyAHDVIKMUWBOHQU-UHFFFAOYSA-N
MW386.43 g/mol
LogP3.22
Rot. Bonds6

About 5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide

5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide (PubChem CID 11855386) has the molecular formula C19H18N2O5S and a molecular weight of 386.43 g/mol. Its IUPAC name is 5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide
PubChem CID11855386
Molecular FormulaC19H18N2O5S
Molecular Weight386.43 g/mol
Exact Mass386.09
IUPAC Name5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide
SMILESCOc1ccc(CC(=O)Nc2ccc3sc(C(=O)NO)cc3c2)cc1OC
InChIInChI=1S/C19H18N2O5S/c1-25-14-5-3-11(7-15(14)26-2)8-18(22)20-13-4-6-16-12(9-13)10-17(27-16)19(23)21-24/h3-7,9-10,24H,8H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyAHDVIKMUWBOHQU-UHFFFAOYSA-N
XLogP3.22
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 53.22
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

methyl 5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzothiophene-2-carboxylate
CID 28558079
6-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide
CID 87619661
5-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-1-benzothiophene-2-carboxylic acid
CID 146088464
N-(4-tert-butylphenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 7741769
N-(2-aminophenyl)-5-[[2-(4-methoxyphenyl)acetyl]amino]-1-benzothiophene-2-carboxamide
CID 68697079
2-(3,4-dimethoxyphenyl)-N-(2-ethyl-1,3-benzothiazol-6-yl)acetamide
CID 30152451
2-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)acetamide
CID 2682877
4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoic acid
CID 2738551
2-[[2-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224501
methyl 2-chloro-5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoate
CID 38236695
N-(3,5-dichlorophenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 3482890
2-(3-methoxy-4-methylphenyl)-N-(4-methoxy-3-methylphenyl)acetamide
CID 87032377

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide (CID 11855386) is 5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide is COc1ccc(CC(=O)Nc2ccc3sc(C(=O)NO)cc3c2)cc1OC.
What is the InChIKey of 5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide?
The InChIKey is AHDVIKMUWBOHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5S/c1-25-14-5-3-11(7-15(14)26-2)8-18(22)20-13-4-6-16-12(9-13)10-17(27-16)19(23)21-24/h3-7,9-10,24H,8H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide?
5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide has a molecular weight of 386.43 g/mol, XLogP of 3.22, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 11855386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).