N-methyl-2-[methyl-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]acetamide

C12H19N3O2S — CID 78824991

IUPACN-methyl-2-[methyl-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]acetamide
SMILESCNC(=O)CN(C)CC(=O)NC(C)c1cccs1
InChIInChI=1S/C12H19N3O2S/c1-9(10-5-4-6-18-10)14-12(17)8-15(3)7-11(16)13-2/h4-6,9H,7-8H2,1-3H3,(H,13,16)(H,14,17)
InChIKeyIICFKVRNRAMGKF-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.60
Rot. Bonds6

About N-methyl-2-[methyl-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]acetamide

N-methyl-2-[methyl-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]acetamide (PubChem CID 78824991) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-methyl-2-[methyl-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-methyl-2-[methyl-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]acetamide
PubChem CID78824991
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-methyl-2-[methyl-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]acetamide
SMILESCNC(=O)CN(C)CC(=O)NC(C)c1cccs1
InChIInChI=1S/C12H19N3O2S/c1-9(10-5-4-6-18-10)14-12(17)8-15(3)7-11(16)13-2/h4-6,9H,7-8H2,1-3H3,(H,13,16)(H,14,17)
InChIKeyIICFKVRNRAMGKF-UHFFFAOYSA-N
XLogP0.60
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]butanoic acid
CID 55005745
2-[5-hydroxypentyl(methyl)amino]-N-(1-thiophen-2-ylethyl)acetamide
CID 107203732
N-(3-fluorophenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]amino]acetamide
CID 9250544
2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 26515915
2-(dipropylamino)-N-(1-thiophen-2-ylethyl)acetamide
CID 78822073
(2R)-2-[[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]propanoic acid
CID 83193853
3-(methylamino)-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 81408507
2-(tert-butylamino)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 81408985
4-oxo-4-(1-thiophen-2-ylethylamino)butanoic acid
CID 43399724
4-(methylamino)-N-(1-thiophen-2-ylethyl)butanamide
CID 60842051
2-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 97328796
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(1-thiophen-2-ylethyl)acetamide
CID 107485550

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[methyl-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]acetamide?
The IUPAC name of N-methyl-2-[methyl-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]acetamide (CID 78824991) is N-methyl-2-[methyl-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]acetamide.
What is the SMILES notation for N-methyl-2-[methyl-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]acetamide?
The canonical SMILES for N-methyl-2-[methyl-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]acetamide is CNC(=O)CN(C)CC(=O)NC(C)c1cccs1.
What is the InChIKey of N-methyl-2-[methyl-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]acetamide?
The InChIKey is IICFKVRNRAMGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-9(10-5-4-6-18-10)14-12(17)8-15(3)7-11(16)13-2/h4-6,9H,7-8H2,1-3H3,(H,13,16)(H,14,17).
What are the key properties of N-methyl-2-[methyl-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]acetamide?
N-methyl-2-[methyl-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]acetamide has a molecular weight of 269.37 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[methyl-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]acetamide is sourced from PubChem (CID 78824991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).