(E)-N-hydroxy-3-[3-[[(1R,2S)-2-phenylcyclopropyl]sulfamoyl]phenyl]prop-2-enamide

C18H18N2O4S — CID 172652640

IUPAC(E)-N-hydroxy-3-[3-[[(1R,2S)-2-phenylcyclopropyl]sulfamoyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(S(=O)(=O)N[C@@H]2C[C@H]2c2ccccc2)c1)NO
InChIInChI=1S/C18H18N2O4S/c21-18(19-22)10-9-13-5-4-8-15(11-13)25(23,24)20-17-12-16(17)14-6-2-1-3-7-14/h1-11,16-17,20,22H,12H2,(H,19,21)/b10-9+/t16-,17+/m0/s1
InChIKeyJQJNIXATVHQVER-YXWZHEERSA-N
MW358.42 g/mol
LogP2.04
Rot. Bonds6

About (E)-N-hydroxy-3-[3-[[(1R,2S)-2-phenylcyclopropyl]sulfamoyl]phenyl]prop-2-enamide

(E)-N-hydroxy-3-[3-[[(1R,2S)-2-phenylcyclopropyl]sulfamoyl]phenyl]prop-2-enamide (PubChem CID 172652640) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[3-[[(1R,2S)-2-phenylcyclopropyl]sulfamoyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[3-[[(1R,2S)-2-phenylcyclopropyl]sulfamoyl]phenyl]prop-2-enamide
PubChem CID172652640
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name(E)-N-hydroxy-3-[3-[[(1R,2S)-2-phenylcyclopropyl]sulfamoyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(S(=O)(=O)N[C@@H]2C[C@H]2c2ccccc2)c1)NO
InChIInChI=1S/C18H18N2O4S/c21-18(19-22)10-9-13-5-4-8-15(11-13)25(23,24)20-17-12-16(17)14-6-2-1-3-7-14/h1-11,16-17,20,22H,12H2,(H,19,21)/b10-9+/t16-,17+/m0/s1
InChIKeyJQJNIXATVHQVER-YXWZHEERSA-N
XLogP2.04
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Related Compounds

3-[3-[bromo(phenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide
CID 91552459
3-[3-(2,3-dihydro-1H-inden-2-ylsulfamoyl)phenyl]prop-2-enoic acid
CID 67019548
cyclopentyl (2S)-2-[[3-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]sulfonylamino]-2-phenylacetate
CID 91549188
cis-(1S,2R)-2-phenyl-N'-[(E)-3-phenylprop-2-enoyl]cyclopropane-1-carbohydrazide
CID 40530433
(E)-3-[3-(cyclobutylsulfamoyl)phenyl]prop-2-enoic acid
CID 55066889
3-[5-chloro-6-[[(1S,2R)-2-phenylcyclopropyl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide;hydrochloride
CID 173125303
(E)-3-(4-aminophenyl)-N-(2-phenylcyclopropyl)prop-2-enamide
CID 115343841
N-hydroxy-3-[3-[(3-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 86591900
(2S)-2-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]sulfonylamino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid
CID 121333998
3-[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-N-hydroxyprop-2-enamide
CID 154235698
4-(bromomethyl)-N-(2-phenylcyclopropyl)benzenesulfonamide
CID 65480037
3-[3-(benzylsulfamoyl)phenyl]prop-2-enoic acid
CID 67019640

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[3-[[(1R,2S)-2-phenylcyclopropyl]sulfamoyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[3-[[(1R,2S)-2-phenylcyclopropyl]sulfamoyl]phenyl]prop-2-enamide (CID 172652640) is (E)-N-hydroxy-3-[3-[[(1R,2S)-2-phenylcyclopropyl]sulfamoyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[3-[[(1R,2S)-2-phenylcyclopropyl]sulfamoyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[3-[[(1R,2S)-2-phenylcyclopropyl]sulfamoyl]phenyl]prop-2-enamide is O=C(/C=C/c1cccc(S(=O)(=O)N[C@@H]2C[C@H]2c2ccccc2)c1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[3-[[(1R,2S)-2-phenylcyclopropyl]sulfamoyl]phenyl]prop-2-enamide?
The InChIKey is JQJNIXATVHQVER-YXWZHEERSA-N. The full InChI is InChI=1S/C18H18N2O4S/c21-18(19-22)10-9-13-5-4-8-15(11-13)25(23,24)20-17-12-16(17)14-6-2-1-3-7-14/h1-11,16-17,20,22H,12H2,(H,19,21)/b10-9+/t16-,17+/m0/s1.
What are the key properties of (E)-N-hydroxy-3-[3-[[(1R,2S)-2-phenylcyclopropyl]sulfamoyl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[3-[[(1R,2S)-2-phenylcyclopropyl]sulfamoyl]phenyl]prop-2-enamide has a molecular weight of 358.42 g/mol, XLogP of 2.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[3-[[(1R,2S)-2-phenylcyclopropyl]sulfamoyl]phenyl]prop-2-enamide is sourced from PubChem (CID 172652640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).