5-[[2-(benzylamino)-3-phenylpropanoyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide

C25H23N3O3S — CID 73128388

IUPAC5-[[2-(benzylamino)-3-phenylpropanoyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide
SMILESO=C(NO)c1cc2cc(NC(=O)C(Cc3ccccc3)NCc3ccccc3)ccc2s1
InChIInChI=1S/C25H23N3O3S/c29-24(27-20-11-12-22-19(14-20)15-23(32-22)25(30)28-31)21(13-17-7-3-1-4-8-17)26-16-18-9-5-2-6-10-18/h1-12,14-15,21,26,31H,13,16H2,(H,27,29)(H,28,30)
InChIKeyXHWPPPUEHYJXKO-UHFFFAOYSA-N
MW445.54 g/mol
LogP4.36
Rot. Bonds8

About 5-[[2-(benzylamino)-3-phenylpropanoyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide

5-[[2-(benzylamino)-3-phenylpropanoyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide (PubChem CID 73128388) has the molecular formula C25H23N3O3S and a molecular weight of 445.54 g/mol. Its IUPAC name is 5-[[2-(benzylamino)-3-phenylpropanoyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-[[2-(benzylamino)-3-phenylpropanoyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide
PubChem CID73128388
Molecular FormulaC25H23N3O3S
Molecular Weight445.54 g/mol
Exact Mass445.15
IUPAC Name5-[[2-(benzylamino)-3-phenylpropanoyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide
SMILESO=C(NO)c1cc2cc(NC(=O)C(Cc3ccccc3)NCc3ccccc3)ccc2s1
InChIInChI=1S/C25H23N3O3S/c29-24(27-20-11-12-22-19(14-20)15-23(32-22)25(30)28-31)21(13-17-7-3-1-4-8-17)26-16-18-9-5-2-6-10-18/h1-12,14-15,21,26,31H,13,16H2,(H,27,29)(H,28,30)
InChIKeyXHWPPPUEHYJXKO-UHFFFAOYSA-N
XLogP4.36
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 54.36
H-Bond Donors ≤ 54
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-5-[[2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl]amino]-1-benzothiophene-2-carboxamide
CID 73127857
2-(1-benzothiophene-2-carbonylamino)-3-phenylpropanoic acid
CID 70557372
N-hydroxy-3-phenyl-2-[(4-phenylphenyl)methylamino]propanamide
CID 20748988
(E)-3-[5-[[2-[(4-tert-butylbenzoyl)amino]-3-phenylpropanoyl]amino]-1-benzothiophen-2-yl]prop-2-enoic acid
CID 178090930
2-(benzylamino)-N-naphthalen-2-ylpropanamide
CID 4870007
(2R)-2-(benzylamino)-4-(naphthalen-2-ylamino)-4-oxobutanoic acid
CID 7592793
3-[(2-benzamido-3-phenylpropanoyl)amino]-N-hydroxybenzamide
CID 178016044
(2S)-2-(benzylamino)-3-phenylpropanoic acid
CID 11832004
6-N-(1,2-diphenylethyl)-2-N-hydroxy-1-benzothiophene-2,6-dicarboxamide
CID 58968905
5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide
CID 11855386
(3S)-4-anilino-3-(benzylamino)-4-oxobutanoic acid
CID 951097
2-amino-N-naphthalen-2-yl-3-phenylpropanamide
CID 577793

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(benzylamino)-3-phenylpropanoyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-[[2-(benzylamino)-3-phenylpropanoyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide (CID 73128388) is 5-[[2-(benzylamino)-3-phenylpropanoyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-[[2-(benzylamino)-3-phenylpropanoyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-[[2-(benzylamino)-3-phenylpropanoyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide is O=C(NO)c1cc2cc(NC(=O)C(Cc3ccccc3)NCc3ccccc3)ccc2s1.
What is the InChIKey of 5-[[2-(benzylamino)-3-phenylpropanoyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide?
The InChIKey is XHWPPPUEHYJXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3S/c29-24(27-20-11-12-22-19(14-20)15-23(32-22)25(30)28-31)21(13-17-7-3-1-4-8-17)26-16-18-9-5-2-6-10-18/h1-12,14-15,21,26,31H,13,16H2,(H,27,29)(H,28,30).
What are the key properties of 5-[[2-(benzylamino)-3-phenylpropanoyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide?
5-[[2-(benzylamino)-3-phenylpropanoyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide has a molecular weight of 445.54 g/mol, XLogP of 4.36, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(benzylamino)-3-phenylpropanoyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 73128388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).