(Z)-3-(3-anilinosulfanylphenyl)-N,2-dihydroxyprop-2-enamide

C15H14N2O3S — CID 145360332

IUPAC(Z)-3-(3-anilinosulfanylphenyl)-N,2-dihydroxyprop-2-enamide
SMILESO=C(NO)/C(O)=C/c1cccc(SNc2ccccc2)c1
InChIInChI=1S/C15H14N2O3S/c18-14(15(19)16-20)10-11-5-4-8-13(9-11)21-17-12-6-2-1-3-7-12/h1-10,17-18,20H,(H,16,19)/b14-10-
InChIKeyMUQSGEMFAQEZCT-UVTDQMKNSA-N
MW302.36 g/mol
LogP3.21
Rot. Bonds5

About (Z)-3-(3-anilinosulfanylphenyl)-N,2-dihydroxyprop-2-enamide

(Z)-3-(3-anilinosulfanylphenyl)-N,2-dihydroxyprop-2-enamide (PubChem CID 145360332) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is (Z)-3-(3-anilinosulfanylphenyl)-N,2-dihydroxyprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(3-anilinosulfanylphenyl)-N,2-dihydroxyprop-2-enamide
PubChem CID145360332
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name(Z)-3-(3-anilinosulfanylphenyl)-N,2-dihydroxyprop-2-enamide
SMILESO=C(NO)/C(O)=C/c1cccc(SNc2ccccc2)c1
InChIInChI=1S/C15H14N2O3S/c18-14(15(19)16-20)10-11-5-4-8-13(9-11)21-17-12-6-2-1-3-7-12/h1-10,17-18,20H,(H,16,19)/b14-10-
InChIKeyMUQSGEMFAQEZCT-UVTDQMKNSA-N
XLogP3.21
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 53.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(3-anilinosulfanylphenyl)-N-methoxyprop-2-enamide
CID 174308218
N-hydroxy-2-methyl-3-phenylprop-2-enamide
CID 141089970
N'-hydroxy-N-phenyloxamide
CID 5008441
3-(4-bromoanilino)sulfanyl-N-methylaniline
CID 156859787
N-[3-[[(E)-2-phenylethenyl]carbamoylamino]phenyl]acetamide
CID 108903270
N-[3-(4-bromoanilino)sulfanylphenyl]formamide;1,4-xylene
CID 170977109
(E)-3-(3-bromophenyl)-2-cyano-N-phenylprop-2-enamide
CID 27114866
1-(3-fluorophenyl)-3-[(E)-2-phenylethenyl]urea
CID 108903344
(Z)-3-naphthalen-2-yl-2-phenylsulfanylprop-2-enoic acid
CID 67638686
(Z)-N-(3-acetamidophenyl)-2-methyl-3-phenylprop-2-enamide
CID 889416
2-hydroxy-3-phenylprop-2-enoic acid;methane
CID 66953163
germane;2-hydroxy-3-phenylprop-2-enoic acid
CID 174439173

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-anilinosulfanylphenyl)-N,2-dihydroxyprop-2-enamide?
The IUPAC name of (Z)-3-(3-anilinosulfanylphenyl)-N,2-dihydroxyprop-2-enamide (CID 145360332) is (Z)-3-(3-anilinosulfanylphenyl)-N,2-dihydroxyprop-2-enamide.
What is the SMILES notation for (Z)-3-(3-anilinosulfanylphenyl)-N,2-dihydroxyprop-2-enamide?
The canonical SMILES for (Z)-3-(3-anilinosulfanylphenyl)-N,2-dihydroxyprop-2-enamide is O=C(NO)/C(O)=C/c1cccc(SNc2ccccc2)c1.
What is the InChIKey of (Z)-3-(3-anilinosulfanylphenyl)-N,2-dihydroxyprop-2-enamide?
The InChIKey is MUQSGEMFAQEZCT-UVTDQMKNSA-N. The full InChI is InChI=1S/C15H14N2O3S/c18-14(15(19)16-20)10-11-5-4-8-13(9-11)21-17-12-6-2-1-3-7-12/h1-10,17-18,20H,(H,16,19)/b14-10-.
What are the key properties of (Z)-3-(3-anilinosulfanylphenyl)-N,2-dihydroxyprop-2-enamide?
(Z)-3-(3-anilinosulfanylphenyl)-N,2-dihydroxyprop-2-enamide has a molecular weight of 302.36 g/mol, XLogP of 3.21, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-anilinosulfanylphenyl)-N,2-dihydroxyprop-2-enamide is sourced from PubChem (CID 145360332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).