N-hydroxy-6-[1-[(4-methoxyphenyl)methylamino]butyl]-1-benzothiophene-2-carboxamide

C21H24N2O3S — CID 15604833

IUPACN-hydroxy-6-[1-[(4-methoxyphenyl)methylamino]butyl]-1-benzothiophene-2-carboxamide
SMILESCCCC(NCc1ccc(OC)cc1)c1ccc2cc(C(=O)NO)sc2c1
InChIInChI=1S/C21H24N2O3S/c1-3-4-18(22-13-14-5-9-17(26-2)10-6-14)15-7-8-16-12-20(21(24)23-25)27-19(16)11-15/h5-12,18,22,25H,3-4,13H2,1-2H3,(H,23,24)
InChIKeyRCIGUXMFRSDWIJ-UHFFFAOYSA-N
MW384.50 g/mol
LogP4.66
Rot. Bonds8

About N-hydroxy-6-[1-[(4-methoxyphenyl)methylamino]butyl]-1-benzothiophene-2-carboxamide

N-hydroxy-6-[1-[(4-methoxyphenyl)methylamino]butyl]-1-benzothiophene-2-carboxamide (PubChem CID 15604833) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is N-hydroxy-6-[1-[(4-methoxyphenyl)methylamino]butyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-6-[1-[(4-methoxyphenyl)methylamino]butyl]-1-benzothiophene-2-carboxamide
PubChem CID15604833
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC NameN-hydroxy-6-[1-[(4-methoxyphenyl)methylamino]butyl]-1-benzothiophene-2-carboxamide
SMILESCCCC(NCc1ccc(OC)cc1)c1ccc2cc(C(=O)NO)sc2c1
InChIInChI=1S/C21H24N2O3S/c1-3-4-18(22-13-14-5-9-17(26-2)10-6-14)15-7-8-16-12-20(21(24)23-25)27-19(16)11-15/h5-12,18,22,25H,3-4,13H2,1-2H3,(H,23,24)
InChIKeyRCIGUXMFRSDWIJ-UHFFFAOYSA-N
XLogP4.66
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 54.66
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-[(4-methoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17156102
methyl (2S)-2-[[4-[[[2-(hydroxycarbamoyl)-1-benzothiophen-6-yl]methylamino]methyl]phenyl]methylamino]-2-phenylacetate
CID 88946176
N-hydroxy-6-[1-(2-methylpropylamino)ethyl]-1-benzothiophene-2-carboxamide
CID 15604754
N-hydroxy-4-[[[1-(4-methoxyphenyl)-2-oxopropyl]amino]methyl]benzamide
CID 174763161
(2R)-2-amino-5-[4-[[[2-(hydroxycarbamoyl)-1-benzothiophen-6-yl]methylamino]methyl]phenoxy]pentanoic acid
CID 15951532
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide
CID 110889455
ethyl 6-methoxy-1-benzothiophene-2-carboxylate
CID 11831419
N-[(4-methoxyphenyl)methyl]-5-nitro-1-benzothiophene-2-carboxamide
CID 8572592
N-[(4-methoxyphenyl)methyl]-4H-thieno[3,2-b]pyrrole-2-carboxamide
CID 136538782
N-(2-amino-5-fluorophenyl)-6-[2-[(4-methoxyphenyl)methylamino]ethyl]-1-benzothiophene-2-carboxamide
CID 68799194
N-hydroxy-6-phosphanyl-1-benzothiophene-2-carboxamide
CID 143667764
(1R)-N-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylbut-3-en-1-amine
CID 135000197

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-[1-[(4-methoxyphenyl)methylamino]butyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-hydroxy-6-[1-[(4-methoxyphenyl)methylamino]butyl]-1-benzothiophene-2-carboxamide (CID 15604833) is N-hydroxy-6-[1-[(4-methoxyphenyl)methylamino]butyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-hydroxy-6-[1-[(4-methoxyphenyl)methylamino]butyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-hydroxy-6-[1-[(4-methoxyphenyl)methylamino]butyl]-1-benzothiophene-2-carboxamide is CCCC(NCc1ccc(OC)cc1)c1ccc2cc(C(=O)NO)sc2c1.
What is the InChIKey of N-hydroxy-6-[1-[(4-methoxyphenyl)methylamino]butyl]-1-benzothiophene-2-carboxamide?
The InChIKey is RCIGUXMFRSDWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-3-4-18(22-13-14-5-9-17(26-2)10-6-14)15-7-8-16-12-20(21(24)23-25)27-19(16)11-15/h5-12,18,22,25H,3-4,13H2,1-2H3,(H,23,24).
What are the key properties of N-hydroxy-6-[1-[(4-methoxyphenyl)methylamino]butyl]-1-benzothiophene-2-carboxamide?
N-hydroxy-6-[1-[(4-methoxyphenyl)methylamino]butyl]-1-benzothiophene-2-carboxamide has a molecular weight of 384.50 g/mol, XLogP of 4.66, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-[1-[(4-methoxyphenyl)methylamino]butyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 15604833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).