3-acetamido-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide

C17H19N3O3S — CID 108541843

IUPAC3-acetamido-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)NCCNC(=O)Cc2cccs2)c1
InChIInChI=1S/C17H19N3O3S/c1-12(21)20-14-5-2-4-13(10-14)17(23)19-8-7-18-16(22)11-15-6-3-9-24-15/h2-6,9-10H,7-8,11H2,1H3,(H,18,22)(H,19,23)(H,20,21)
InChIKeyWNLWRBVBJODJNS-UHFFFAOYSA-N
MW345.42 g/mol
LogP1.80
Rot. Bonds7

About 3-acetamido-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide

3-acetamido-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide (PubChem CID 108541843) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 3-acetamido-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide
PubChem CID108541843
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name3-acetamido-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)NCCNC(=O)Cc2cccs2)c1
InChIInChI=1S/C17H19N3O3S/c1-12(21)20-14-5-2-4-13(10-14)17(23)19-8-7-18-16(22)11-15-6-3-9-24-15/h2-6,9-10H,7-8,11H2,1H3,(H,18,22)(H,19,23)(H,20,21)
InChIKeyWNLWRBVBJODJNS-UHFFFAOYSA-N
XLogP1.80
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide
CID 108542051
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-thiophen-2-ylacetamide
CID 7516727
3-[[3-[(2-thiophen-2-ylacetyl)amino]benzoyl]amino]benzoic acid
CID 1026629
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]pyridine-4-carboxamide
CID 108542045
3-acetamido-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 17409595
N-[2-(3-acetamido-N-methylsulfonylanilino)ethyl]-2-thiophen-2-ylacetamide
CID 113071084
N-[2-[(3-acetamidobenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108541876
N-(3-benzoylphenyl)-2-thiophen-2-ylacetamide
CID 762458
N-(2-acetamidoethyl)-3-(propanoylamino)benzamide
CID 47265307
N-(2-aminoethyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride
CID 119384896
3-acetamido-N-ethylbenzamide
CID 17230670

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide?
The IUPAC name of 3-acetamido-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide (CID 108541843) is 3-acetamido-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide.
What is the SMILES notation for 3-acetamido-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide?
The canonical SMILES for 3-acetamido-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide is CC(=O)Nc1cccc(C(=O)NCCNC(=O)Cc2cccs2)c1.
What is the InChIKey of 3-acetamido-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide?
The InChIKey is WNLWRBVBJODJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-12(21)20-14-5-2-4-13(10-14)17(23)19-8-7-18-16(22)11-15-6-3-9-24-15/h2-6,9-10H,7-8,11H2,1H3,(H,18,22)(H,19,23)(H,20,21).
What are the key properties of 3-acetamido-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide?
3-acetamido-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide has a molecular weight of 345.42 g/mol, XLogP of 1.80, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide is sourced from PubChem (CID 108541843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).