N-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-methyl-2-thiophen-2-ylacetamide

C14H15N3O2S — CID 76979565

IUPACN-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-methyl-2-thiophen-2-ylacetamide
SMILESCN(C(=O)Cc1cccs1)c1ccc(C(N)=NO)cc1
InChIInChI=1S/C14H15N3O2S/c1-17(13(18)9-12-3-2-8-20-12)11-6-4-10(5-7-11)14(15)16-19/h2-8,19H,9H2,1H3,(H2,15,16)
InChIKeyOECPVWDQTDVVPC-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.05
Rot. Bonds4

About N-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-methyl-2-thiophen-2-ylacetamide

N-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-methyl-2-thiophen-2-ylacetamide (PubChem CID 76979565) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-methyl-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-methyl-2-thiophen-2-ylacetamide
PubChem CID76979565
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC NameN-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-methyl-2-thiophen-2-ylacetamide
SMILESCN(C(=O)Cc1cccs1)c1ccc(C(N)=NO)cc1
InChIInChI=1S/C14H15N3O2S/c1-17(13(18)9-12-3-2-8-20-12)11-6-4-10(5-7-11)14(15)16-19/h2-8,19H,9H2,1H3,(H2,15,16)
InChIKeyOECPVWDQTDVVPC-UHFFFAOYSA-N
XLogP2.05
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-N-methyl-2-thiophen-2-ylacetamide
CID 43114422
3-(furan-2-yl)-N-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-methylpropanamide
CID 76979523
N-ethyl-3-(N'-hydroxycarbamimidoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 76904150
[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2-thiophen-2-ylacetate
CID 6242299
N-[[2-fluoro-4-(N'-hydroxycarbamimidoyl)phenyl]methyl]-2-thiophen-2-ylacetamide
CID 76995398
N-cyano-N-methyl-2-thiophen-2-ylacetamide
CID 131201372
1-[4-(diethylamino)phenyl]-2-thiophen-2-ylethanone
CID 146006031
[(E)-[amino(pyridin-4-yl)methylidene]amino] 2-thiophen-2-ylacetate
CID 6341393
4-[ethyl(thiophen-2-ylmethyl)amino]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 76904138
N,N-bis(2-hydroxypropyl)-2-thiophen-2-ylacetamide
CID 112509111
N'-hydroxy-4-[2-(2-thiophen-2-ylethoxy)ethoxy]benzenecarboximidamide
CID 76905925
4-[(E)-N'-hydroxycarbamimidoyl]-N,N-dimethylbenzamide
CID 165437218

Frequently Asked Questions

What is the IUPAC name of N-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-methyl-2-thiophen-2-ylacetamide?
The IUPAC name of N-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-methyl-2-thiophen-2-ylacetamide (CID 76979565) is N-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-methyl-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-methyl-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-methyl-2-thiophen-2-ylacetamide is CN(C(=O)Cc1cccs1)c1ccc(C(N)=NO)cc1.
What is the InChIKey of N-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-methyl-2-thiophen-2-ylacetamide?
The InChIKey is OECPVWDQTDVVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-17(13(18)9-12-3-2-8-20-12)11-6-4-10(5-7-11)14(15)16-19/h2-8,19H,9H2,1H3,(H2,15,16).
What are the key properties of N-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-methyl-2-thiophen-2-ylacetamide?
N-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-methyl-2-thiophen-2-ylacetamide has a molecular weight of 289.36 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-methyl-2-thiophen-2-ylacetamide is sourced from PubChem (CID 76979565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).