2-[ethyl-(N-propan-2-yl-C-thiophen-2-ylcarbonimidoyl)amino]-N-propan-2-ylacetamide

C15H25N3OS — CID 47085327

IUPAC2-[ethyl-(N-propan-2-yl-C-thiophen-2-ylcarbonimidoyl)amino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)/C(=N\C(C)C)c1cccs1
InChIInChI=1S/C15H25N3OS/c1-6-18(10-14(19)16-11(2)3)15(17-12(4)5)13-8-7-9-20-13/h7-9,11-12H,6,10H2,1-5H3,(H,16,19)/b17-15-
InChIKeyIPMJHPUKKFTWEV-ICFOKQHNSA-N
MW295.45 g/mol
LogP2.75
Rot. Bonds6

About 2-[ethyl-(N-propan-2-yl-C-thiophen-2-ylcarbonimidoyl)amino]-N-propan-2-ylacetamide

2-[ethyl-(N-propan-2-yl-C-thiophen-2-ylcarbonimidoyl)amino]-N-propan-2-ylacetamide (PubChem CID 47085327) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 2-[ethyl-(N-propan-2-yl-C-thiophen-2-ylcarbonimidoyl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[ethyl-(N-propan-2-yl-C-thiophen-2-ylcarbonimidoyl)amino]-N-propan-2-ylacetamide
PubChem CID47085327
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name2-[ethyl-(N-propan-2-yl-C-thiophen-2-ylcarbonimidoyl)amino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)/C(=N\C(C)C)c1cccs1
InChIInChI=1S/C15H25N3OS/c1-6-18(10-14(19)16-11(2)3)15(17-12(4)5)13-8-7-9-20-13/h7-9,11-12H,6,10H2,1-5H3,(H,16,19)/b17-15-
InChIKeyIPMJHPUKKFTWEV-ICFOKQHNSA-N
XLogP2.75
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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CID 136094880
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CID 136094877
N-[2-[(2-amino-2-oxoethyl)-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-[3-(diaminomethylideneamino)propyl]-2-(tridecylamino)acetamide
CID 145978946
2-amino-N-(1-(thiophen-2-yl)ethyl)butanamide
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2-(cyclopropylamino)-N-(thiophen-2-ylmethyl)acetamide
CID 857060
N,N-di(propan-2-yl)-2-(thiophen-2-ylmethylamino)acetamide
CID 1439869
2-(ethylamino)-N-(thiophen-2-ylmethyl)acetamide
CID 2113338
2-(6-oxo-4-propylpyrimidin-1(6H)-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 44069716
N-cyclohexyl-2-(2-thenylamino)propionamide;oxalic acid
CID 3226809
(2S)-N-(ethylcarbamoyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
CID 26606086
N-cyclohexyl-2-(thiophen-2-ylmethylamino)acetamide
CID 43093059
N-cyclopentyl-2-(1-thiophen-2-ylethylamino)propanamide
CID 43397990

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(N-propan-2-yl-C-thiophen-2-ylcarbonimidoyl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[ethyl-(N-propan-2-yl-C-thiophen-2-ylcarbonimidoyl)amino]-N-propan-2-ylacetamide (CID 47085327) is 2-[ethyl-(N-propan-2-yl-C-thiophen-2-ylcarbonimidoyl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[ethyl-(N-propan-2-yl-C-thiophen-2-ylcarbonimidoyl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[ethyl-(N-propan-2-yl-C-thiophen-2-ylcarbonimidoyl)amino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)/C(=N\C(C)C)c1cccs1.
What is the InChIKey of 2-[ethyl-(N-propan-2-yl-C-thiophen-2-ylcarbonimidoyl)amino]-N-propan-2-ylacetamide?
The InChIKey is IPMJHPUKKFTWEV-ICFOKQHNSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-6-18(10-14(19)16-11(2)3)15(17-12(4)5)13-8-7-9-20-13/h7-9,11-12H,6,10H2,1-5H3,(H,16,19)/b17-15-.
What are the key properties of 2-[ethyl-(N-propan-2-yl-C-thiophen-2-ylcarbonimidoyl)amino]-N-propan-2-ylacetamide?
2-[ethyl-(N-propan-2-yl-C-thiophen-2-ylcarbonimidoyl)amino]-N-propan-2-ylacetamide has a molecular weight of 295.45 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(N-propan-2-yl-C-thiophen-2-ylcarbonimidoyl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 47085327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).