N-hydroxy-4-[2-(naphthalen-1-yloxymethyl)-3-(thiophen-2-ylmethylamino)prop-1-enyl]benzamide

C26H24N2O3S — CID 91528131

IUPACN-hydroxy-4-[2-(naphthalen-1-yloxymethyl)-3-(thiophen-2-ylmethylamino)prop-1-enyl]benzamide
SMILESO=C(NO)c1ccc(C=C(CNCc2cccs2)COc2cccc3ccccc23)cc1
InChIInChI=1S/C26H24N2O3S/c29-26(28-30)22-12-10-19(11-13-22)15-20(16-27-17-23-7-4-14-32-23)18-31-25-9-3-6-21-5-1-2-8-24(21)25/h1-15,27,30H,16-18H2,(H,28,29)
InChIKeyRCKJYNCJLIYMSK-UHFFFAOYSA-N
MW444.56 g/mol
LogP5.27
Rot. Bonds9

About N-hydroxy-4-[2-(naphthalen-1-yloxymethyl)-3-(thiophen-2-ylmethylamino)prop-1-enyl]benzamide

N-hydroxy-4-[2-(naphthalen-1-yloxymethyl)-3-(thiophen-2-ylmethylamino)prop-1-enyl]benzamide (PubChem CID 91528131) has the molecular formula C26H24N2O3S and a molecular weight of 444.56 g/mol. Its IUPAC name is N-hydroxy-4-[2-(naphthalen-1-yloxymethyl)-3-(thiophen-2-ylmethylamino)prop-1-enyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[2-(naphthalen-1-yloxymethyl)-3-(thiophen-2-ylmethylamino)prop-1-enyl]benzamide
PubChem CID91528131
Molecular FormulaC26H24N2O3S
Molecular Weight444.56 g/mol
Exact Mass444.15
IUPAC NameN-hydroxy-4-[2-(naphthalen-1-yloxymethyl)-3-(thiophen-2-ylmethylamino)prop-1-enyl]benzamide
SMILESO=C(NO)c1ccc(C=C(CNCc2cccs2)COc2cccc3ccccc23)cc1
InChIInChI=1S/C26H24N2O3S/c29-26(28-30)22-12-10-19(11-13-22)15-20(16-27-17-23-7-4-14-32-23)18-31-25-9-3-6-21-5-1-2-8-24(21)25/h1-15,27,30H,16-18H2,(H,28,29)
InChIKeyRCKJYNCJLIYMSK-UHFFFAOYSA-N
XLogP5.27
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.56
LogP ≤ 55.27
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

methyl 4-[(Z)-2-(naphthalen-1-yloxymethyl)-3-(thiophen-2-ylmethylamino)prop-1-enyl]benzoate
CID 140547243
N-hydroxy-4-[(E)-2-[(2-methoxyethylamino)methyl]-3-naphthalen-1-yloxyprop-1-enyl]benzamide
CID 87225914
4-[(Z)-2-[[2-[di(propan-2-yl)amino]ethylamino]methyl]-3-naphthalen-1-yloxyprop-1-enyl]-N-hydroxybenzamide
CID 24896815
N-hydroxy-4-[(E)-2-(naphthalen-1-yloxymethyl)-3-(quinolin-3-ylamino)prop-1-enyl]benzamide
CID 11540152
4-[2-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-3-naphthalen-1-yloxyprop-1-enyl]-N-hydroxybenzamide
CID 74349235
4-[(E)-2-[[(2-methylpropan-2-yl)oxycarbonyl-(thiophen-2-ylmethyl)amino]methyl]-3-naphthalen-1-yloxyprop-1-enyl]benzoic acid
CID 66987171
methyl 4-[2-(naphthalen-1-yloxymethyl)-3-[[4-(trifluoromethoxy)phenyl]methylamino]prop-1-enyl]benzoate
CID 91590334
methyl 4-[(Z)-2-(naphthalen-1-yloxymethyl)-3-[[4-(trifluoromethoxy)phenyl]methylamino]prop-1-enyl]benzoate
CID 140547245
4-[(Z)-2-[(cyclopentylamino)methyl]-4-naphthalen-1-yloxybut-1-enyl]-N-hydroxybenzamide
CID 11495705
N-hydroxy-4-[(E)-2-(naphthalen-1-yloxymethyl)-3-oxo-3-piperidin-1-ylprop-1-enyl]benzamide
CID 142687448
N-hydroxy-4-[(Z)-4-naphthalen-1-yloxy-2-[(4-phenylanilino)methyl]but-1-enyl]benzamide
CID 11598751
4-[2-(9H-carbazol-1-yloxymethyl)-3-hydroxyprop-1-enyl]-N-hydroxybenzamide
CID 73031267

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[2-(naphthalen-1-yloxymethyl)-3-(thiophen-2-ylmethylamino)prop-1-enyl]benzamide?
The IUPAC name of N-hydroxy-4-[2-(naphthalen-1-yloxymethyl)-3-(thiophen-2-ylmethylamino)prop-1-enyl]benzamide (CID 91528131) is N-hydroxy-4-[2-(naphthalen-1-yloxymethyl)-3-(thiophen-2-ylmethylamino)prop-1-enyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[2-(naphthalen-1-yloxymethyl)-3-(thiophen-2-ylmethylamino)prop-1-enyl]benzamide?
The canonical SMILES for N-hydroxy-4-[2-(naphthalen-1-yloxymethyl)-3-(thiophen-2-ylmethylamino)prop-1-enyl]benzamide is O=C(NO)c1ccc(C=C(CNCc2cccs2)COc2cccc3ccccc23)cc1.
What is the InChIKey of N-hydroxy-4-[2-(naphthalen-1-yloxymethyl)-3-(thiophen-2-ylmethylamino)prop-1-enyl]benzamide?
The InChIKey is RCKJYNCJLIYMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3S/c29-26(28-30)22-12-10-19(11-13-22)15-20(16-27-17-23-7-4-14-32-23)18-31-25-9-3-6-21-5-1-2-8-24(21)25/h1-15,27,30H,16-18H2,(H,28,29).
What are the key properties of N-hydroxy-4-[2-(naphthalen-1-yloxymethyl)-3-(thiophen-2-ylmethylamino)prop-1-enyl]benzamide?
N-hydroxy-4-[2-(naphthalen-1-yloxymethyl)-3-(thiophen-2-ylmethylamino)prop-1-enyl]benzamide has a molecular weight of 444.56 g/mol, XLogP of 5.27, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[2-(naphthalen-1-yloxymethyl)-3-(thiophen-2-ylmethylamino)prop-1-enyl]benzamide is sourced from PubChem (CID 91528131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).