N-methyl-2-[(3-methyl-1-thiophen-2-ylbutyl)amino]acetamide

C12H20N2OS — CID 115706824

IUPACN-methyl-2-[(3-methyl-1-thiophen-2-ylbutyl)amino]acetamide
SMILESCNC(=O)CNC(CC(C)C)c1cccs1
InChIInChI=1S/C12H20N2OS/c1-9(2)7-10(11-5-4-6-16-11)14-8-12(15)13-3/h4-6,9-10,14H,7-8H2,1-3H3,(H,13,15)
InChIKeyFRORHZQSTVAAFO-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.17
Rot. Bonds6

About N-methyl-2-[(3-methyl-1-thiophen-2-ylbutyl)amino]acetamide

N-methyl-2-[(3-methyl-1-thiophen-2-ylbutyl)amino]acetamide (PubChem CID 115706824) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-methyl-2-[(3-methyl-1-thiophen-2-ylbutyl)amino]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(3-methyl-1-thiophen-2-ylbutyl)amino]acetamide
PubChem CID115706824
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-methyl-2-[(3-methyl-1-thiophen-2-ylbutyl)amino]acetamide
SMILESCNC(=O)CNC(CC(C)C)c1cccs1
InChIInChI=1S/C12H20N2OS/c1-9(2)7-10(11-5-4-6-16-11)14-8-12(15)13-3/h4-6,9-10,14H,7-8H2,1-3H3,(H,13,15)
InChIKeyFRORHZQSTVAAFO-UHFFFAOYSA-N
XLogP2.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[(3-methyl-1-thiophen-2-ylbutyl)amino]propan-2-ol
CID 103906407
1-(1-hydroxypropan-2-yl)-3-(3-methyl-1-thiophen-2-ylbutyl)urea
CID 110901056
2-[2-[[(1R)-3-methyl-1-thiophen-2-ylbutyl]amino]-2-oxoethyl]sulfanylacetamide
CID 95596104
(2R)-2-[[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]propanoic acid
CID 83193853
N-(2-methylpropyl)-2-(1-thiophen-2-ylethylamino)acetamide
CID 43398125
2-[[(S)-[4-[(2R)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 8996919
3-methyl-N-(2-methylsulfanylpropyl)-1-thiophen-2-ylbutan-1-amine
CID 115895478
N-[2-(methylamino)-2-oxoethyl]-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8869471
N,4-dimethyl-2-(1-thiophen-2-ylethylamino)pentanamide
CID 43750667
N-[2-[[(1S)-3-methyl-1-thiophen-2-ylbutyl]amino]-2-oxoethyl]furan-3-carboxamide
CID 94814587
(3R)-3-[(3-methyl-1-thiophen-2-ylbutyl)amino]butan-1-ol
CID 103871621
N-methyl-2-[methyl-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]acetamide
CID 78824991

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3-methyl-1-thiophen-2-ylbutyl)amino]acetamide?
The IUPAC name of N-methyl-2-[(3-methyl-1-thiophen-2-ylbutyl)amino]acetamide (CID 115706824) is N-methyl-2-[(3-methyl-1-thiophen-2-ylbutyl)amino]acetamide.
What is the SMILES notation for N-methyl-2-[(3-methyl-1-thiophen-2-ylbutyl)amino]acetamide?
The canonical SMILES for N-methyl-2-[(3-methyl-1-thiophen-2-ylbutyl)amino]acetamide is CNC(=O)CNC(CC(C)C)c1cccs1.
What is the InChIKey of N-methyl-2-[(3-methyl-1-thiophen-2-ylbutyl)amino]acetamide?
The InChIKey is FRORHZQSTVAAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-9(2)7-10(11-5-4-6-16-11)14-8-12(15)13-3/h4-6,9-10,14H,7-8H2,1-3H3,(H,13,15).
What are the key properties of N-methyl-2-[(3-methyl-1-thiophen-2-ylbutyl)amino]acetamide?
N-methyl-2-[(3-methyl-1-thiophen-2-ylbutyl)amino]acetamide has a molecular weight of 240.37 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(3-methyl-1-thiophen-2-ylbutyl)amino]acetamide is sourced from PubChem (CID 115706824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).