N-(2-methylpropoxy)-4-thiophen-2-ylbutanamide

C12H19NO2S — CID 115409895

IUPACN-(2-methylpropoxy)-4-thiophen-2-ylbutanamide
SMILESCC(C)CONC(=O)CCCc1cccs1
InChIInChI=1S/C12H19NO2S/c1-10(2)9-15-13-12(14)7-3-5-11-6-4-8-16-11/h4,6,8,10H,3,5,7,9H2,1-2H3,(H,13,14)
InChIKeyPQCAMGYUONXJCP-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.77
Rot. Bonds7

About N-(2-methylpropoxy)-4-thiophen-2-ylbutanamide

N-(2-methylpropoxy)-4-thiophen-2-ylbutanamide (PubChem CID 115409895) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is N-(2-methylpropoxy)-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(2-methylpropoxy)-4-thiophen-2-ylbutanamide
PubChem CID115409895
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC NameN-(2-methylpropoxy)-4-thiophen-2-ylbutanamide
SMILESCC(C)CONC(=O)CCCc1cccs1
InChIInChI=1S/C12H19NO2S/c1-10(2)9-15-13-12(14)7-3-5-11-6-4-8-16-11/h4,6,8,10H,3,5,7,9H2,1-2H3,(H,13,14)
InChIKeyPQCAMGYUONXJCP-UHFFFAOYSA-N
XLogP2.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)butanamide
CID 81340698
N-(1-methoxypropan-2-yl)-4-thiophen-2-ylbutanamide
CID 78785345
ethyl 2-(4-thiophen-2-ylbutanoylamino)propanoate
CID 61343312
N-(3-aminobutyl)-4-thiophen-2-ylbutanamide
CID 63253791
N-[1-(2-aminophenyl)ethyl]-4-thiophen-2-ylbutanamide
CID 43297812
N-[3-(2-methylpropoxyamino)-3-oxopropyl]thiophene-2-carboxamide
CID 115410037
N-(4-bromobutan-2-yl)-4-thiophen-2-ylbutanamide
CID 83179701
5-thiophen-2-ylpentanehydrazide
CID 70194284
N-[4-(2-methylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide
CID 26907103
3-methyl-2-[(4-thiophen-2-ylbutanoylamino)methyl]butanoic acid
CID 65220323
N-[(1S)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethyl]-4-thiophen-2-ylbutanamide
CID 96509347
N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-thiophen-2-ylbutanamide
CID 51726837

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropoxy)-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(2-methylpropoxy)-4-thiophen-2-ylbutanamide (CID 115409895) is N-(2-methylpropoxy)-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(2-methylpropoxy)-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(2-methylpropoxy)-4-thiophen-2-ylbutanamide is CC(C)CONC(=O)CCCc1cccs1.
What is the InChIKey of N-(2-methylpropoxy)-4-thiophen-2-ylbutanamide?
The InChIKey is PQCAMGYUONXJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-10(2)9-15-13-12(14)7-3-5-11-6-4-8-16-11/h4,6,8,10H,3,5,7,9H2,1-2H3,(H,13,14).
What are the key properties of N-(2-methylpropoxy)-4-thiophen-2-ylbutanamide?
N-(2-methylpropoxy)-4-thiophen-2-ylbutanamide has a molecular weight of 241.36 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropoxy)-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 115409895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).