N-ethyl-2-(3-formamidophenoxy)-N-(thiophen-3-ylmethyl)acetamide

C16H18N2O3S — CID 86203067

IUPACN-ethyl-2-(3-formamidophenoxy)-N-(thiophen-3-ylmethyl)acetamide
SMILESCCN(Cc1ccsc1)C(=O)COc1cccc(NC=O)c1
InChIInChI=1S/C16H18N2O3S/c1-2-18(9-13-6-7-22-11-13)16(20)10-21-15-5-3-4-14(8-15)17-12-19/h3-8,11-12H,2,9-10H2,1H3,(H,17,19)
InChIKeyAIGDPVCUPRVTTG-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.74
Rot. Bonds8

About N-ethyl-2-(3-formamidophenoxy)-N-(thiophen-3-ylmethyl)acetamide

N-ethyl-2-(3-formamidophenoxy)-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 86203067) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-ethyl-2-(3-formamidophenoxy)-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(3-formamidophenoxy)-N-(thiophen-3-ylmethyl)acetamide
PubChem CID86203067
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN-ethyl-2-(3-formamidophenoxy)-N-(thiophen-3-ylmethyl)acetamide
SMILESCCN(Cc1ccsc1)C(=O)COc1cccc(NC=O)c1
InChIInChI=1S/C16H18N2O3S/c1-2-18(9-13-6-7-22-11-13)16(20)10-21-15-5-3-4-14(8-15)17-12-19/h3-8,11-12H,2,9-10H2,1H3,(H,17,19)
InChIKeyAIGDPVCUPRVTTG-UHFFFAOYSA-N
XLogP2.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxyphenyl)formamide
CID 57236062
2-(3-acetamidophenoxy)-N,N-diethylacetamide
CID 7698145
N-benzyl-2-(3-ethoxyphenoxy)-N-ethylacetamide
CID 112977716
N-methyl-2-[3-(methylaminomethyl)phenoxy]-N-(thiophen-3-ylmethyl)acetamide
CID 106485959
2-(3-aminophenoxy)-N-ethyl-N-(pyridin-4-ylmethyl)acetamide
CID 61115292
N-benzyl-2-(3-cyanophenoxy)-N-ethylacetamide
CID 7964477
2-[3-(3-aminopropylamino)phenoxy]-N,N-diethylacetamide
CID 117097567
N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-(methoxymethyl)benzamide
CID 86982965
N-(3-phenylmethoxyphenyl)formamide
CID 87791021
2-(3-bromophenoxy)-N,N-diethylacetamide
CID 24689388
2-[3-(thiophen-3-ylmethylcarbamoylamino)phenoxy]acetic acid
CID 63244370
2-(3-acetamidophenoxy)-N-benzyl-N-(2-phenylethyl)acetamide
CID 7698005

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-formamidophenoxy)-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of N-ethyl-2-(3-formamidophenoxy)-N-(thiophen-3-ylmethyl)acetamide (CID 86203067) is N-ethyl-2-(3-formamidophenoxy)-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for N-ethyl-2-(3-formamidophenoxy)-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for N-ethyl-2-(3-formamidophenoxy)-N-(thiophen-3-ylmethyl)acetamide is CCN(Cc1ccsc1)C(=O)COc1cccc(NC=O)c1.
What is the InChIKey of N-ethyl-2-(3-formamidophenoxy)-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is AIGDPVCUPRVTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-2-18(9-13-6-7-22-11-13)16(20)10-21-15-5-3-4-14(8-15)17-12-19/h3-8,11-12H,2,9-10H2,1H3,(H,17,19).
What are the key properties of N-ethyl-2-(3-formamidophenoxy)-N-(thiophen-3-ylmethyl)acetamide?
N-ethyl-2-(3-formamidophenoxy)-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 318.40 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-formamidophenoxy)-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 86203067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).