2-phenyl-N-[(Z)-1-thiophen-2-ylethylideneamino]cyclopropane-1-carboxamide

C16H16N2OS — CID 6370476

IUPAC2-phenyl-N-[(Z)-1-thiophen-2-ylethylideneamino]cyclopropane-1-carboxamide
SMILESC/C(=N/NC(=O)C1CC1c1ccccc1)c1cccs1
InChIInChI=1S/C16H16N2OS/c1-11(15-8-5-9-20-15)17-18-16(19)14-10-13(14)12-6-3-2-4-7-12/h2-9,13-14H,10H2,1H3,(H,18,19)/b17-11-
InChIKeyGSMWWBMUSIFMDC-BOPFTXTBSA-N
MW284.38 g/mol
LogP3.39
Rot. Bonds4

About 2-phenyl-N-[(Z)-1-thiophen-2-ylethylideneamino]cyclopropane-1-carboxamide

2-phenyl-N-[(Z)-1-thiophen-2-ylethylideneamino]cyclopropane-1-carboxamide (PubChem CID 6370476) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-phenyl-N-[(Z)-1-thiophen-2-ylethylideneamino]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-[(Z)-1-thiophen-2-ylethylideneamino]cyclopropane-1-carboxamide
PubChem CID6370476
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name2-phenyl-N-[(Z)-1-thiophen-2-ylethylideneamino]cyclopropane-1-carboxamide
SMILESC/C(=N/NC(=O)C1CC1c1ccccc1)c1cccs1
InChIInChI=1S/C16H16N2OS/c1-11(15-8-5-9-20-15)17-18-16(19)14-10-13(14)12-6-3-2-4-7-12/h2-9,13-14H,10H2,1H3,(H,18,19)/b17-11-
InChIKeyGSMWWBMUSIFMDC-BOPFTXTBSA-N
XLogP3.39
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.39
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

2-phenyl-N-(1-phenylethylideneamino)cyclopropane-1-carboxamide
CID 3097435
cis-(1R,2S)-2-phenyl-N-(1-phenylethylideneamino)cyclopropane-1-carboxamide
CID 129439028
cis-(1R,2S)-N-[(Z)-1-(5-ethylthiophen-2-yl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 40585229
N-[(Z)-1-thiophen-2-ylethylideneamino]cyclopropanecarboxamide
CID 6340204
cis-(1R,2S)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 135907421
N'-[(1R,2S)-2-phenylcyclopropanecarbonyl]thiophene-2-carbohydrazide
CID 691734
trans-(1R,2R)-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 40522727
cis-(1R,2S)-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 40522725
trans-(1R,2R)-N-[(E)-1-[4-(dimethylamino)phenyl]ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 73353905
trans-(1S,2S)-N-[(Z)-1-naphthalen-2-ylethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 7296073
N-[(E)-3,3-dimethylbutan-2-ylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 6104863
trans-(1S,2S)-N-[(E)-1-cyclopropylethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 7203116

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(Z)-1-thiophen-2-ylethylideneamino]cyclopropane-1-carboxamide?
The IUPAC name of 2-phenyl-N-[(Z)-1-thiophen-2-ylethylideneamino]cyclopropane-1-carboxamide (CID 6370476) is 2-phenyl-N-[(Z)-1-thiophen-2-ylethylideneamino]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-phenyl-N-[(Z)-1-thiophen-2-ylethylideneamino]cyclopropane-1-carboxamide?
The canonical SMILES for 2-phenyl-N-[(Z)-1-thiophen-2-ylethylideneamino]cyclopropane-1-carboxamide is C/C(=N/NC(=O)C1CC1c1ccccc1)c1cccs1.
What is the InChIKey of 2-phenyl-N-[(Z)-1-thiophen-2-ylethylideneamino]cyclopropane-1-carboxamide?
The InChIKey is GSMWWBMUSIFMDC-BOPFTXTBSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-11(15-8-5-9-20-15)17-18-16(19)14-10-13(14)12-6-3-2-4-7-12/h2-9,13-14H,10H2,1H3,(H,18,19)/b17-11-.
What are the key properties of 2-phenyl-N-[(Z)-1-thiophen-2-ylethylideneamino]cyclopropane-1-carboxamide?
2-phenyl-N-[(Z)-1-thiophen-2-ylethylideneamino]cyclopropane-1-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(Z)-1-thiophen-2-ylethylideneamino]cyclopropane-1-carboxamide is sourced from PubChem (CID 6370476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).