N-hydroxy-6-[[2-(2-methoxyphenyl)acetyl]amino]-1-benzothiophene-2-carboxamide

C18H16N2O4S — CID 58968983

IUPACN-hydroxy-6-[[2-(2-methoxyphenyl)acetyl]amino]-1-benzothiophene-2-carboxamide
SMILESCOc1ccccc1CC(=O)Nc1ccc2cc(C(=O)NO)sc2c1
InChIInChI=1S/C18H16N2O4S/c1-24-14-5-3-2-4-11(14)9-17(21)19-13-7-6-12-8-16(18(22)20-23)25-15(12)10-13/h2-8,10,23H,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyGMUQZZQXDIRIOW-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.21
Rot. Bonds5

About N-hydroxy-6-[[2-(2-methoxyphenyl)acetyl]amino]-1-benzothiophene-2-carboxamide

N-hydroxy-6-[[2-(2-methoxyphenyl)acetyl]amino]-1-benzothiophene-2-carboxamide (PubChem CID 58968983) has the molecular formula C18H16N2O4S and a molecular weight of 356.40 g/mol. Its IUPAC name is N-hydroxy-6-[[2-(2-methoxyphenyl)acetyl]amino]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-6-[[2-(2-methoxyphenyl)acetyl]amino]-1-benzothiophene-2-carboxamide
PubChem CID58968983
Molecular FormulaC18H16N2O4S
Molecular Weight356.40 g/mol
Exact Mass356.08
IUPAC NameN-hydroxy-6-[[2-(2-methoxyphenyl)acetyl]amino]-1-benzothiophene-2-carboxamide
SMILESCOc1ccccc1CC(=O)Nc1ccc2cc(C(=O)NO)sc2c1
InChIInChI=1S/C18H16N2O4S/c1-24-14-5-3-2-4-11(14)9-17(21)19-13-7-6-12-8-16(18(22)20-23)25-15(12)10-13/h2-8,10,23H,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyGMUQZZQXDIRIOW-UHFFFAOYSA-N
XLogP3.21
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

N-hydroxy-6-(2-(4-methoxyphenyl)acetamido)benzo[b]thiophene-2-carboxamide
CID 11164133
N-hydroxy-6-[[2-(3-methoxyphenyl)acetyl]amino]-1-benzothiophene-2-carboxamide
CID 11256805
6-[1-(benzylamino)-2-(4-methoxyanilino)-2-oxoethyl]-N-hydroxy-1-benzothiophene-2-carboxamide
CID 15604667
N-[4-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 1293625
3-N-(1-benzothiophen-5-yl)-1-N-hydroxy-4-methoxybenzene-1,3-dicarboxamide
CID 164620112
N,5-bis(4-methoxyphenyl)-2-thiophenecarboxamide
CID 1483381
N-{4-[(4-methoxyphenyl)carbamoyl]phenyl}thiophene-2-carboxamide
CID 2575211
2-Methoxy-N-[4-(3-thiophen-2-yl-acryloyl)-phenyl]-benzamide
CID 5760487
6-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide
CID 71712449
5-methoxy-N-phenyl-1-benzothiophene-2-carboxamide
CID 137646460
N-(4-carbamoylphenyl)-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide
CID 1013917
6-methoxy-N-[4-(1-methylpiperidin-4-yl)phenyl]-1-benzothiophene-2-carboxamide
CID 70687212

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-[[2-(2-methoxyphenyl)acetyl]amino]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-hydroxy-6-[[2-(2-methoxyphenyl)acetyl]amino]-1-benzothiophene-2-carboxamide (CID 58968983) is N-hydroxy-6-[[2-(2-methoxyphenyl)acetyl]amino]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-hydroxy-6-[[2-(2-methoxyphenyl)acetyl]amino]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-hydroxy-6-[[2-(2-methoxyphenyl)acetyl]amino]-1-benzothiophene-2-carboxamide is COc1ccccc1CC(=O)Nc1ccc2cc(C(=O)NO)sc2c1.
What is the InChIKey of N-hydroxy-6-[[2-(2-methoxyphenyl)acetyl]amino]-1-benzothiophene-2-carboxamide?
The InChIKey is GMUQZZQXDIRIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S/c1-24-14-5-3-2-4-11(14)9-17(21)19-13-7-6-12-8-16(18(22)20-23)25-15(12)10-13/h2-8,10,23H,9H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-hydroxy-6-[[2-(2-methoxyphenyl)acetyl]amino]-1-benzothiophene-2-carboxamide?
N-hydroxy-6-[[2-(2-methoxyphenyl)acetyl]amino]-1-benzothiophene-2-carboxamide has a molecular weight of 356.40 g/mol, XLogP of 3.21, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-[[2-(2-methoxyphenyl)acetyl]amino]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 58968983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).