N-cyclopropyl-2-oxo-2-[2-[(E)-3-phenylsulfanylprop-2-enoyl]hydrazinyl]acetamide

C14H15N3O3S — CID 8532518

IUPACN-cyclopropyl-2-oxo-2-[2-[(E)-3-phenylsulfanylprop-2-enoyl]hydrazinyl]acetamide
SMILESO=C(/C=C/Sc1ccccc1)NNC(=O)C(=O)NC1CC1
InChIInChI=1S/C14H15N3O3S/c18-12(8-9-21-11-4-2-1-3-5-11)16-17-14(20)13(19)15-10-6-7-10/h1-5,8-10H,6-7H2,(H,15,19)(H,16,18)(H,17,20)/b9-8+
InChIKeyNOWFVXFGKNUPMX-CMDGGOBGSA-N
MW305.36 g/mol
LogP0.72
Rot. Bonds4

About N-cyclopropyl-2-oxo-2-[2-[(E)-3-phenylsulfanylprop-2-enoyl]hydrazinyl]acetamide

N-cyclopropyl-2-oxo-2-[2-[(E)-3-phenylsulfanylprop-2-enoyl]hydrazinyl]acetamide (PubChem CID 8532518) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-cyclopropyl-2-oxo-2-[2-[(E)-3-phenylsulfanylprop-2-enoyl]hydrazinyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-oxo-2-[2-[(E)-3-phenylsulfanylprop-2-enoyl]hydrazinyl]acetamide
PubChem CID8532518
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC NameN-cyclopropyl-2-oxo-2-[2-[(E)-3-phenylsulfanylprop-2-enoyl]hydrazinyl]acetamide
SMILESO=C(/C=C/Sc1ccccc1)NNC(=O)C(=O)NC1CC1
InChIInChI=1S/C14H15N3O3S/c18-12(8-9-21-11-4-2-1-3-5-11)16-17-14(20)13(19)15-10-6-7-10/h1-5,8-10H,6-7H2,(H,15,19)(H,16,18)(H,17,20)/b9-8+
InChIKeyNOWFVXFGKNUPMX-CMDGGOBGSA-N
XLogP0.72
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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 N-cyclopropyl-2-oxo-2-[2-[(E)-3-phenylsulfanylprop-2-enoyl]hydrazinyl]acetamide?
The IUPAC name of N-cyclopropyl-2-oxo-2-[2-[(E)-3-phenylsulfanylprop-2-enoyl]hydrazinyl]acetamide (CID 8532518) is N-cyclopropyl-2-oxo-2-[2-[(E)-3-phenylsulfanylprop-2-enoyl]hydrazinyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-oxo-2-[2-[(E)-3-phenylsulfanylprop-2-enoyl]hydrazinyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-oxo-2-[2-[(E)-3-phenylsulfanylprop-2-enoyl]hydrazinyl]acetamide is O=C(/C=C/Sc1ccccc1)NNC(=O)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-oxo-2-[2-[(E)-3-phenylsulfanylprop-2-enoyl]hydrazinyl]acetamide?
The InChIKey is NOWFVXFGKNUPMX-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H15N3O3S/c18-12(8-9-21-11-4-2-1-3-5-11)16-17-14(20)13(19)15-10-6-7-10/h1-5,8-10H,6-7H2,(H,15,19)(H,16,18)(H,17,20)/b9-8+.
What are the key properties of N-cyclopropyl-2-oxo-2-[2-[(E)-3-phenylsulfanylprop-2-enoyl]hydrazinyl]acetamide?
N-cyclopropyl-2-oxo-2-[2-[(E)-3-phenylsulfanylprop-2-enoyl]hydrazinyl]acetamide has a molecular weight of 305.36 g/mol, XLogP of 0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-oxo-2-[2-[(E)-3-phenylsulfanylprop-2-enoyl]hydrazinyl]acetamide is sourced from PubChem (CID 8532518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).