N-(1-methoxypropan-2-yl)-4-thiophen-2-ylbutanamide

C12H19NO2S — CID 78785345

IUPACN-(1-methoxypropan-2-yl)-4-thiophen-2-ylbutanamide
SMILESCOCC(C)NC(=O)CCCc1cccs1
InChIInChI=1S/C12H19NO2S/c1-10(9-15-2)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)
InChIKeyZIWLLHHZUPCHDD-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.22
Rot. Bonds7

About N-(1-methoxypropan-2-yl)-4-thiophen-2-ylbutanamide

N-(1-methoxypropan-2-yl)-4-thiophen-2-ylbutanamide (PubChem CID 78785345) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-4-thiophen-2-ylbutanamide
PubChem CID78785345
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC NameN-(1-methoxypropan-2-yl)-4-thiophen-2-ylbutanamide
SMILESCOCC(C)NC(=O)CCCc1cccs1
InChIInChI=1S/C12H19NO2S/c1-10(9-15-2)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)
InChIKeyZIWLLHHZUPCHDD-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromobutan-2-yl)-4-thiophen-2-ylbutanamide
CID 83179701
3-(6-thiophen-2-ylhexanoylamino)butanoic acid
CID 119221489
ethyl 2-(4-thiophen-2-ylbutanoylamino)propanoate
CID 61343312
N-[4-(1-methoxypropan-2-ylamino)-4-oxobutyl]thiophene-2-carboxamide
CID 51180809
N-(2-methylpropoxy)-4-thiophen-2-ylbutanamide
CID 115409895
N-(1-methoxypropan-2-yl)-2-[2,4,5-trioxo-3-(2-thiophen-2-ylethyl)imidazolidin-1-yl]acetamide
CID 154775356
1-[(2R)-1-methoxypropan-2-yl]-3-(thiophen-2-ylmethyl)urea
CID 94744411
N-[(2S)-1-aminopropan-2-yl]-3-thiophen-2-ylpropanamide
CID 120509228
N-(1-chloro-4-methylpentan-3-yl)-4-thiophen-2-ylbutanamide
CID 106354910
N-(1-bromo-4-methylpentan-3-yl)-4-thiophen-2-ylbutanamide
CID 106355352
4-(5-bromothiophen-2-yl)-N-(1-thiophen-2-ylpropan-2-yl)butanamide
CID 78861198
(2S)-1-methoxy-N-(2-thiophen-2-ylethyl)propan-2-amine
CID 94472999

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-4-thiophen-2-ylbutanamide (CID 78785345) is N-(1-methoxypropan-2-yl)-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-4-thiophen-2-ylbutanamide is COCC(C)NC(=O)CCCc1cccs1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-4-thiophen-2-ylbutanamide?
The InChIKey is ZIWLLHHZUPCHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-10(9-15-2)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-(1-methoxypropan-2-yl)-4-thiophen-2-ylbutanamide?
N-(1-methoxypropan-2-yl)-4-thiophen-2-ylbutanamide has a molecular weight of 241.36 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 78785345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).