(E)-3-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-N-hydroxyprop-2-enamide

C21H21N3O4S — CID 10873314

IUPAC(E)-3-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-N-hydroxyprop-2-enamide
SMILESCN(C)c1cccc2c(S(=O)(=O)Nc3ccc(/C=C/C(=O)NO)cc3)cccc12
InChIInChI=1S/C21H21N3O4S/c1-24(2)19-7-3-6-18-17(19)5-4-8-20(18)29(27,28)23-16-12-9-15(10-13-16)11-14-21(25)22-26/h3-14,23,26H,1-2H3,(H,22,25)/b14-11+
InChIKeyDGVBTGGYDRMFCM-SDNWHVSQSA-N
MW411.48 g/mol
LogP3.23
Rot. Bonds6

About (E)-3-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-N-hydroxyprop-2-enamide

(E)-3-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-N-hydroxyprop-2-enamide (PubChem CID 10873314) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is (E)-3-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-N-hydroxyprop-2-enamide
PubChem CID10873314
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC Name(E)-3-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-N-hydroxyprop-2-enamide
SMILESCN(C)c1cccc2c(S(=O)(=O)Nc3ccc(/C=C/C(=O)NO)cc3)cccc12
InChIInChI=1S/C21H21N3O4S/c1-24(2)19-7-3-6-18-17(19)5-4-8-20(18)29(27,28)23-16-12-9-15(10-13-16)11-14-21(25)22-26/h3-14,23,26H,1-2H3,(H,22,25)/b14-11+
InChIKeyDGVBTGGYDRMFCM-SDNWHVSQSA-N
XLogP3.23
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-N-hydroxyprop-2-enamide (CID 10873314) is (E)-3-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-N-hydroxyprop-2-enamide is CN(C)c1cccc2c(S(=O)(=O)Nc3ccc(/C=C/C(=O)NO)cc3)cccc12.
What is the InChIKey of (E)-3-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is DGVBTGGYDRMFCM-SDNWHVSQSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-24(2)19-7-3-6-18-17(19)5-4-8-20(18)29(27,28)23-16-12-9-15(10-13-16)11-14-21(25)22-26/h3-14,23,26H,1-2H3,(H,22,25)/b14-11+.
What are the key properties of (E)-3-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 411.48 g/mol, XLogP of 3.23, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 10873314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).