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

C13H22N2OS — CID 60765676

IUPACN-butyl-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide
SMILESCCCCNC(=O)CNC(C)Cc1cccs1
InChIInChI=1S/C13H22N2OS/c1-3-4-7-14-13(16)10-15-11(2)9-12-6-5-8-17-12/h5-6,8,11,15H,3-4,7,9-10H2,1-2H3,(H,14,16)
InChIKeyJTPSNXUPXWEFIR-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.18
Rot. Bonds8

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

N-butyl-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide (PubChem CID 60765676) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N-butyl-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-butyl-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide
PubChem CID60765676
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN-butyl-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide
SMILESCCCCNC(=O)CNC(C)Cc1cccs1
InChIInChI=1S/C13H22N2OS/c1-3-4-7-14-13(16)10-15-11(2)9-12-6-5-8-17-12/h5-6,8,11,15H,3-4,7,9-10H2,1-2H3,(H,14,16)
InChIKeyJTPSNXUPXWEFIR-UHFFFAOYSA-N
XLogP2.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanoethyl)-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide
CID 63291377
1-butyl-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 115579833
N-[2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]acetamide
CID 102673467
N-propyl-1-thiophen-2-ylpropan-2-amine
CID 43692824
2-(propan-2-ylamino)-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 60842186
3-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid
CID 63291768
5-(1-thiophen-2-ylpropan-2-ylamino)pentanoic acid
CID 103251821
N-(oxan-4-yl)-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide
CID 63291806
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[[(2R)-1-thiophen-2-ylpropan-2-yl]amino]acetamide
CID 95125451
N-hexyl-4-thiophen-2-ylbutanamide
CID 134055852
3-bromo-N-(1-thiophen-2-ylpropan-2-yl)propanamide
CID 82110960
(2S)-N-butyl-3-hydroxy-2-[(2-thiophen-2-ylacetyl)amino]propanamide
CID 56927752

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide?
The IUPAC name of N-butyl-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide (CID 60765676) is N-butyl-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide.
What is the SMILES notation for N-butyl-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide?
The canonical SMILES for N-butyl-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide is CCCCNC(=O)CNC(C)Cc1cccs1.
What is the InChIKey of N-butyl-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide?
The InChIKey is JTPSNXUPXWEFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-3-4-7-14-13(16)10-15-11(2)9-12-6-5-8-17-12/h5-6,8,11,15H,3-4,7,9-10H2,1-2H3,(H,14,16).
What are the key properties of N-butyl-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide?
N-butyl-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide has a molecular weight of 254.40 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide is sourced from PubChem (CID 60765676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).