3-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]propanamide

C14H14N2OS — CID 5414238

IUPAC3-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]propanamide
SMILESO=C(CCc1ccccc1)N/N=C\c1cccs1
InChIInChI=1S/C14H14N2OS/c17-14(9-8-12-5-2-1-3-6-12)16-15-11-13-7-4-10-18-13/h1-7,10-11H,8-9H2,(H,16,17)/b15-11-
InChIKeySHTTWHZNAAJDCH-PTNGSMBKSA-N
MW258.35 g/mol
LogP2.83
Rot. Bonds5

About 3-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]propanamide

3-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]propanamide (PubChem CID 5414238) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 3-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]propanamide
PubChem CID5414238
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name3-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]propanamide
SMILESO=C(CCc1ccccc1)N/N=C\c1cccs1
InChIInChI=1S/C14H14N2OS/c17-14(9-8-12-5-2-1-3-6-12)16-15-11-13-7-4-10-18-13/h1-7,10-11H,8-9H2,(H,16,17)/b15-11-
InChIKeySHTTWHZNAAJDCH-PTNGSMBKSA-N
XLogP2.83
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-3-phenylpropanamide
CID 5418164
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3-phenylpropanamide
CID 5394131
N-(thiophen-2-ylmethylideneamino)octadecanamide
CID 75087356
N-[(E)-thiophen-2-ylmethylideneamino]octanamide
CID 6894116
N-(thiophen-2-ylmethylideneamino)undecanamide
CID 2164157
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(E)-thiophen-2-ylmethylideneamino]propanamide
CID 42991437
2-(4-hydroxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 26871383
3-phenyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]propanamide
CID 1283174
2-(dimethylamino)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
CID 15703243
N-[(E)-(2-methylphenyl)methylideneamino]-3-phenylpropanamide
CID 5338610
2-(4-tert-butylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 6368519
2-pyridin-2-ylsulfanyl-N-(thiophen-2-ylmethylideneamino)acetamide
CID 749028

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]propanamide?
The IUPAC name of 3-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]propanamide (CID 5414238) is 3-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]propanamide.
What is the SMILES notation for 3-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]propanamide?
The canonical SMILES for 3-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]propanamide is O=C(CCc1ccccc1)N/N=C\c1cccs1.
What is the InChIKey of 3-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]propanamide?
The InChIKey is SHTTWHZNAAJDCH-PTNGSMBKSA-N. The full InChI is InChI=1S/C14H14N2OS/c17-14(9-8-12-5-2-1-3-6-12)16-15-11-13-7-4-10-18-13/h1-7,10-11H,8-9H2,(H,16,17)/b15-11-.
What are the key properties of 3-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]propanamide?
3-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]propanamide has a molecular weight of 258.35 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]propanamide is sourced from PubChem (CID 5414238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).