3-acetamido-N-cyano-3-thiophen-2-ylpropanamide

C10H11N3O2S — CID 79193756

IUPAC3-acetamido-N-cyano-3-thiophen-2-ylpropanamide
SMILESCC(=O)NC(CC(=O)NC#N)c1cccs1
InChIInChI=1S/C10H11N3O2S/c1-7(14)13-8(5-10(15)12-6-11)9-3-2-4-16-9/h2-4,8H,5H2,1H3,(H,12,15)(H,13,14)
InChIKeyBEKYMTNUBOOAMB-UHFFFAOYSA-N
MW237.28 g/mol
LogP0.91
Rot. Bonds4

About 3-acetamido-N-cyano-3-thiophen-2-ylpropanamide

3-acetamido-N-cyano-3-thiophen-2-ylpropanamide (PubChem CID 79193756) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 3-acetamido-N-cyano-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-cyano-3-thiophen-2-ylpropanamide
PubChem CID79193756
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name3-acetamido-N-cyano-3-thiophen-2-ylpropanamide
SMILESCC(=O)NC(CC(=O)NC#N)c1cccs1
InChIInChI=1S/C10H11N3O2S/c1-7(14)13-8(5-10(15)12-6-11)9-3-2-4-16-9/h2-4,8H,5H2,1H3,(H,12,15)(H,13,14)
InChIKeyBEKYMTNUBOOAMB-UHFFFAOYSA-N
XLogP0.91
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

3-acetamido-N-ethyl-3-thiophen-2-ylpropanamide
CID 47137622
3-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]butanoic acid
CID 43360839
3-acetamido-N-(2-methylprop-2-enyl)-3-thiophen-2-ylpropanamide
CID 114618717
methyl 2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]propanoate
CID 60712518
N-[2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]ethyl]-2-methylpropanamide
CID 43039868
3-acetamido-N-[(1-hydroxycyclobutyl)methyl]-3-thiophen-2-ylpropanamide
CID 115643278
3-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]-2-methylpropanoic acid
CID 62674240
3-acetamido-N-(2,3-dihydroxypropyl)-3-thiophen-2-ylpropanamide
CID 66174989
3-acetamido-N-(4-chlorophenyl)-3-thiophen-2-ylpropanamide
CID 46697558
4-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]butanoic acid
CID 43355028
3-acetamido-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-thiophen-2-ylpropanamide
CID 55573033
3-acetamido-N-(2-bromophenyl)-3-thiophen-2-ylpropanamide
CID 51309268

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-cyano-3-thiophen-2-ylpropanamide?
The IUPAC name of 3-acetamido-N-cyano-3-thiophen-2-ylpropanamide (CID 79193756) is 3-acetamido-N-cyano-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 3-acetamido-N-cyano-3-thiophen-2-ylpropanamide?
The canonical SMILES for 3-acetamido-N-cyano-3-thiophen-2-ylpropanamide is CC(=O)NC(CC(=O)NC#N)c1cccs1.
What is the InChIKey of 3-acetamido-N-cyano-3-thiophen-2-ylpropanamide?
The InChIKey is BEKYMTNUBOOAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-7(14)13-8(5-10(15)12-6-11)9-3-2-4-16-9/h2-4,8H,5H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 3-acetamido-N-cyano-3-thiophen-2-ylpropanamide?
3-acetamido-N-cyano-3-thiophen-2-ylpropanamide has a molecular weight of 237.28 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-cyano-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 79193756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).