2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide

C16H24N2OS — CID 134001328

IUPAC2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)CN(Cc1cccs1)C1CC1
InChIInChI=1S/C16H24N2OS/c1-4-17(10-13(2)3)16(19)12-18(14-7-8-14)11-15-6-5-9-20-15/h5-6,9,14H,2,4,7-8,10-12H2,1,3H3
InChIKeyDISHMTFYQFGBMY-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.14
Rot. Bonds8

About 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide

2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide (PubChem CID 134001328) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide.

Molecular Properties

Compound Name2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
PubChem CID134001328
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)CN(Cc1cccs1)C1CC1
InChIInChI=1S/C16H24N2OS/c1-4-17(10-13(2)3)16(19)12-18(14-7-8-14)11-15-6-5-9-20-15/h5-6,9,14H,2,4,7-8,10-12H2,1,3H3
InChIKeyDISHMTFYQFGBMY-UHFFFAOYSA-N
XLogP3.14
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N,N-dipropylacetamide
CID 52569061
1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-one
CID 62029716
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-ethyl-N-phenylacetamide
CID 134001322
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 134001295
4-N-ethyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine
CID 62808156
4-[ethyl(thiophen-2-ylmethyl)amino]cyclohexan-1-one
CID 114762087
N-ethyl-N-(thiophen-2-ylmethyl)cyclohexanamine
CID 69253511
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(4-fluorophenyl)ethanone
CID 62030102
4-N-ethyl-1-N-methyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine
CID 114762984
2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-2-methylbutanoic acid
CID 62271809
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(2-methylcyclohexyl)acetamide
CID 42951116
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 55568469

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The IUPAC name of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide (CID 134001328) is 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide.
What is the SMILES notation for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The canonical SMILES for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide is C=C(C)CN(CC)C(=O)CN(Cc1cccs1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The InChIKey is DISHMTFYQFGBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-4-17(10-13(2)3)16(19)12-18(14-7-8-14)11-15-6-5-9-20-15/h5-6,9,14H,2,4,7-8,10-12H2,1,3H3.
What are the key properties of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide has a molecular weight of 292.45 g/mol, XLogP of 3.14, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide is sourced from PubChem (CID 134001328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).