(E)-N-(morpholin-4-ylcarbamothioyl)-3-phenylprop-2-enamide

C14H17N3O2S — CID 31196599

IUPAC(E)-N-(morpholin-4-ylcarbamothioyl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NC(=S)NN1CCOCC1
InChIInChI=1S/C14H17N3O2S/c18-13(7-6-12-4-2-1-3-5-12)15-14(20)16-17-8-10-19-11-9-17/h1-7H,8-11H2,(H2,15,16,18,20)/b7-6+
InChIKeyCGJSEZMSJKPNCE-VOTSOKGWSA-N
MW291.38 g/mol
LogP0.94
Rot. Bonds3

About (E)-N-(morpholin-4-ylcarbamothioyl)-3-phenylprop-2-enamide

(E)-N-(morpholin-4-ylcarbamothioyl)-3-phenylprop-2-enamide (PubChem CID 31196599) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is (E)-N-(morpholin-4-ylcarbamothioyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(morpholin-4-ylcarbamothioyl)-3-phenylprop-2-enamide
PubChem CID31196599
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name(E)-N-(morpholin-4-ylcarbamothioyl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NC(=S)NN1CCOCC1
InChIInChI=1S/C14H17N3O2S/c18-13(7-6-12-4-2-1-3-5-12)15-14(20)16-17-8-10-19-11-9-17/h1-7H,8-11H2,(H2,15,16,18,20)/b7-6+
InChIKeyCGJSEZMSJKPNCE-VOTSOKGWSA-N
XLogP0.94
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(morpholin-4-ylcarbamothioyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 840359
N-(morpholin-4-ylcarbamoyl)-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 54287493
(E)-3-(4-bromophenyl)-N-morpholin-4-ylprop-2-enamide
CID 903165
(E)-N-(methylcarbamothioyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2421567
(E)-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide
CID 2319063
2-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]acetic acid
CID 139082096
1-benzamido-3-morpholin-4-ylthiourea
CID 95931415
3-(4-methoxyphenyl)-N-morpholin-4-ylprop-2-enamide
CID 5104066
(E)-3-(4-methoxyphenyl)-N-morpholin-4-ylprop-2-enamide
CID 6271180
[(E)-3-phenylprop-2-enoyl]carbamic acid
CID 140993183
(E)-N-(cyclopropylcarbamothioyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2421551
3-(4-fluorophenyl)-N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]prop-2-enamide
CID 4933223

Frequently Asked Questions

What is the IUPAC name of (E)-N-(morpholin-4-ylcarbamothioyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(morpholin-4-ylcarbamothioyl)-3-phenylprop-2-enamide (CID 31196599) is (E)-N-(morpholin-4-ylcarbamothioyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(morpholin-4-ylcarbamothioyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(morpholin-4-ylcarbamothioyl)-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)NC(=S)NN1CCOCC1.
What is the InChIKey of (E)-N-(morpholin-4-ylcarbamothioyl)-3-phenylprop-2-enamide?
The InChIKey is CGJSEZMSJKPNCE-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H17N3O2S/c18-13(7-6-12-4-2-1-3-5-12)15-14(20)16-17-8-10-19-11-9-17/h1-7H,8-11H2,(H2,15,16,18,20)/b7-6+.
What are the key properties of (E)-N-(morpholin-4-ylcarbamothioyl)-3-phenylprop-2-enamide?
(E)-N-(morpholin-4-ylcarbamothioyl)-3-phenylprop-2-enamide has a molecular weight of 291.38 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(morpholin-4-ylcarbamothioyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 31196599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).