2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(thiophen-2-ylmethyl)propanamide

C14H21N3O2S — CID 86909979

IUPAC2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(thiophen-2-ylmethyl)propanamide
SMILESCC(C(=O)NCc1cccs1)N(C)CC(=O)NC1CC1
InChIInChI=1S/C14H21N3O2S/c1-10(14(19)15-8-12-4-3-7-20-12)17(2)9-13(18)16-11-5-6-11/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,15,19)(H,16,18)
InChIKeyHHOFQTBQMOSUPQ-UHFFFAOYSA-N
MW295.41 g/mol
LogP0.96
Rot. Bonds7

About 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(thiophen-2-ylmethyl)propanamide

2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 86909979) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(thiophen-2-ylmethyl)propanamide
PubChem CID86909979
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(thiophen-2-ylmethyl)propanamide
SMILESCC(C(=O)NCc1cccs1)N(C)CC(=O)NC1CC1
InChIInChI=1S/C14H21N3O2S/c1-10(14(19)15-8-12-4-3-7-20-12)17(2)9-13(18)16-11-5-6-11/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,15,19)(H,16,18)
InChIKeyHHOFQTBQMOSUPQ-UHFFFAOYSA-N
XLogP0.96
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[methyl(2-methylpropyl)amino]-N-(thiophen-2-ylmethyl)propanamide
CID 95236096
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-thiophen-2-ylacetamide
CID 47013772
2-[methyl(1-thiophen-2-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 51271574
(2R)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)propanamide
CID 9053403
(2S)-N-(4-bromophenyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide
CID 9053206
N-cyclopropyl-2-[(1-hydrazinyl-1-oxopropan-2-yl)-methylamino]acetamide
CID 63584391
(2S)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 8909425
(2S)-N-(1,3-benzodioxol-5-yl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide
CID 9053316
2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-N-(thiophen-2-ylmethyl)propanamide
CID 55544038
(2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide
CID 9053428
2-methyl-N-[1-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]piperidin-4-yl]propanamide
CID 55739363
2-[[1-(4-bromophenyl)-1-oxopropan-2-yl]-methylamino]-N-cyclopropylacetamide
CID 60681642

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(thiophen-2-ylmethyl)propanamide (CID 86909979) is 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(thiophen-2-ylmethyl)propanamide is CC(C(=O)NCc1cccs1)N(C)CC(=O)NC1CC1.
What is the InChIKey of 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is HHOFQTBQMOSUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-10(14(19)15-8-12-4-3-7-20-12)17(2)9-13(18)16-11-5-6-11/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,15,19)(H,16,18).
What are the key properties of 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(thiophen-2-ylmethyl)propanamide?
2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 295.41 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 86909979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).