N-(2-cyanoethyl)-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide

C12H17N3OS — CID 63291377

IUPACN-(2-cyanoethyl)-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide
SMILESCC(Cc1cccs1)NCC(=O)NCCC#N
InChIInChI=1S/C12H17N3OS/c1-10(8-11-4-2-7-17-11)15-9-12(16)14-6-3-5-13/h2,4,7,10,15H,3,6,8-9H2,1H3,(H,14,16)
InChIKeyCPEUXMCJAGFTLT-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.30
Rot. Bonds7

About N-(2-cyanoethyl)-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide

N-(2-cyanoethyl)-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide (PubChem CID 63291377) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide
PubChem CID63291377
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC NameN-(2-cyanoethyl)-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide
SMILESCC(Cc1cccs1)NCC(=O)NCCC#N
InChIInChI=1S/C12H17N3OS/c1-10(8-11-4-2-7-17-11)15-9-12(16)14-6-3-5-13/h2,4,7,10,15H,3,6,8-9H2,1H3,(H,14,16)
InChIKeyCPEUXMCJAGFTLT-UHFFFAOYSA-N
XLogP1.30
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide
CID 60765676
N-(2-cyanoethyl)-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]acetamide
CID 60697385
N-[2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]acetamide
CID 102673467
2-(propan-2-ylamino)-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 60842186
N-(2-cyanoethyl)-2-(4-phenylbutan-2-ylamino)acetamide
CID 60688303
3-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid
CID 63291768
N-(oxan-4-yl)-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide
CID 63291806
N-(2-cyanoethyl)thiophene-2-carboxamide
CID 60656092
N-(4-cyanobutyl)-4-thiophen-2-ylbutanamide
CID 63284935
N-(2-cyanoethyl)-2-(hexan-2-ylamino)acetamide
CID 62199849
N-propyl-1-thiophen-2-ylpropan-2-amine
CID 43692824
5-(1-thiophen-2-ylpropan-2-ylamino)pentanoic acid
CID 103251821

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide (CID 63291377) is N-(2-cyanoethyl)-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide is CC(Cc1cccs1)NCC(=O)NCCC#N.
What is the InChIKey of N-(2-cyanoethyl)-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide?
The InChIKey is CPEUXMCJAGFTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-10(8-11-4-2-7-17-11)15-9-12(16)14-6-3-5-13/h2,4,7,10,15H,3,6,8-9H2,1H3,(H,14,16).
What are the key properties of N-(2-cyanoethyl)-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide?
N-(2-cyanoethyl)-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide has a molecular weight of 251.35 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide is sourced from PubChem (CID 63291377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).