N-hydroxy-6-[2-(2-methylpropylamino)ethyl]-1-benzothiophene-2-carboxamide

C15H20N2O2S — CID 87770140

IUPACN-hydroxy-6-[2-(2-methylpropylamino)ethyl]-1-benzothiophene-2-carboxamide
SMILESCC(C)CNCCc1ccc2cc(C(=O)NO)sc2c1
InChIInChI=1S/C15H20N2O2S/c1-10(2)9-16-6-5-11-3-4-12-8-14(15(18)17-19)20-13(12)7-11/h3-4,7-8,10,16,19H,5-6,9H2,1-2H3,(H,17,18)
InChIKeyMLDUMNNVQVRVET-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.81
Rot. Bonds6

About N-hydroxy-6-[2-(2-methylpropylamino)ethyl]-1-benzothiophene-2-carboxamide

N-hydroxy-6-[2-(2-methylpropylamino)ethyl]-1-benzothiophene-2-carboxamide (PubChem CID 87770140) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-hydroxy-6-[2-(2-methylpropylamino)ethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-6-[2-(2-methylpropylamino)ethyl]-1-benzothiophene-2-carboxamide
PubChem CID87770140
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-hydroxy-6-[2-(2-methylpropylamino)ethyl]-1-benzothiophene-2-carboxamide
SMILESCC(C)CNCCc1ccc2cc(C(=O)NO)sc2c1
InChIInChI=1S/C15H20N2O2S/c1-10(2)9-16-6-5-11-3-4-12-8-14(15(18)17-19)20-13(12)7-11/h3-4,7-8,10,16,19H,5-6,9H2,1-2H3,(H,17,18)
InChIKeyMLDUMNNVQVRVET-UHFFFAOYSA-N
XLogP2.81
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[1-(2-methylpropylamino)ethyl]-1-benzothiophene-2-carboxamide
CID 15604754
6-fluoro-N-(2-methylpropyl)-1-benzothiophene-2-carboxamide
CID 29205600
N-hydroxy-6-phosphanyl-1-benzothiophene-2-carboxamide
CID 143667764
N-(2-bromo-4-methylpentyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 107157762
6-[(benzylsulfonylamino)methyl]-N-hydroxy-1-benzothiophene-2-carboxamide
CID 11326364
(2R)-2-amino-5-[4-[[[2-(hydroxycarbamoyl)-1-benzothiophen-6-yl]methylamino]methyl]phenoxy]pentanoic acid
CID 15951532
N-[2-(3-fluoro-4-methylphenyl)ethyl]-2-methylpropan-1-amine
CID 64866859
6-fluoro-N-[2-(propan-2-ylamino)ethyl]-1-benzothiophene-2-carboxamide
CID 81105182
2-methyl-N-[2-(4-methylphenyl)ethyl]propan-1-amine
CID 60983758
N-hydroxy-6-[1-[(4-methoxyphenyl)methylamino]butyl]-1-benzothiophene-2-carboxamide
CID 15604833
2-methyl-N-[2-(3-propylphenyl)ethyl]propan-1-amine
CID 116545559
6-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide
CID 87619661

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-[2-(2-methylpropylamino)ethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-hydroxy-6-[2-(2-methylpropylamino)ethyl]-1-benzothiophene-2-carboxamide (CID 87770140) is N-hydroxy-6-[2-(2-methylpropylamino)ethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-hydroxy-6-[2-(2-methylpropylamino)ethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-hydroxy-6-[2-(2-methylpropylamino)ethyl]-1-benzothiophene-2-carboxamide is CC(C)CNCCc1ccc2cc(C(=O)NO)sc2c1.
What is the InChIKey of N-hydroxy-6-[2-(2-methylpropylamino)ethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is MLDUMNNVQVRVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-10(2)9-16-6-5-11-3-4-12-8-14(15(18)17-19)20-13(12)7-11/h3-4,7-8,10,16,19H,5-6,9H2,1-2H3,(H,17,18).
What are the key properties of N-hydroxy-6-[2-(2-methylpropylamino)ethyl]-1-benzothiophene-2-carboxamide?
N-hydroxy-6-[2-(2-methylpropylamino)ethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 292.40 g/mol, XLogP of 2.81, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-[2-(2-methylpropylamino)ethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 87770140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).