N-(cyclopropylmethyl)-2-(2-thiophen-3-ylethylamino)acetamide

C12H18N2OS — CID 60976875

IUPACN-(cyclopropylmethyl)-2-(2-thiophen-3-ylethylamino)acetamide
SMILESO=C(CNCCc1ccsc1)NCC1CC1
InChIInChI=1S/C12H18N2OS/c15-12(14-7-10-1-2-10)8-13-5-3-11-4-6-16-9-11/h4,6,9-10,13H,1-3,5,7-8H2,(H,14,15)
InChIKeyUOWZAGSHHKJPAC-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.41
Rot. Bonds7

About N-(cyclopropylmethyl)-2-(2-thiophen-3-ylethylamino)acetamide

N-(cyclopropylmethyl)-2-(2-thiophen-3-ylethylamino)acetamide (PubChem CID 60976875) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(2-thiophen-3-ylethylamino)acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(2-thiophen-3-ylethylamino)acetamide
PubChem CID60976875
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC NameN-(cyclopropylmethyl)-2-(2-thiophen-3-ylethylamino)acetamide
SMILESO=C(CNCCc1ccsc1)NCC1CC1
InChIInChI=1S/C12H18N2OS/c15-12(14-7-10-1-2-10)8-13-5-3-11-4-6-16-9-11/h4,6,9-10,13H,1-3,5,7-8H2,(H,14,15)
InChIKeyUOWZAGSHHKJPAC-UHFFFAOYSA-N
XLogP1.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethyl)-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide
CID 54953236
N-carbamoyl-2-(2-thiophen-3-ylethylamino)acetamide
CID 60976114
N-(cyclopropylmethyl)-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]acetamide
CID 106435169
2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(cyclopropylmethyl)acetamide
CID 106047038
N-(2-thiophen-3-ylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958029
N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]butanamide
CID 121057584
N-[2-(4-chlorophenyl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 61260038
N-(pyrrolidin-3-ylmethyl)-2-thiophen-3-ylacetamide
CID 71644965
methyl 2-[(2R,5S)-1-(cyclopropylmethyl)-5-[[(2-thiophen-3-ylacetyl)amino]methyl]pyrrolidin-2-yl]acetate
CID 165423679
N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-2-thiophen-3-ylacetamide
CID 122161831
2-hydroxy-N-(2-thiophen-3-ylethyl)cyclopentane-1-carboxamide
CID 110015235
4-methyl-N-(2-thiophen-3-ylethyl)piperidine-1-carboxamide
CID 52656985

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(2-thiophen-3-ylethylamino)acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(2-thiophen-3-ylethylamino)acetamide (CID 60976875) is N-(cyclopropylmethyl)-2-(2-thiophen-3-ylethylamino)acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(2-thiophen-3-ylethylamino)acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(2-thiophen-3-ylethylamino)acetamide is O=C(CNCCc1ccsc1)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(2-thiophen-3-ylethylamino)acetamide?
The InChIKey is UOWZAGSHHKJPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c15-12(14-7-10-1-2-10)8-13-5-3-11-4-6-16-9-11/h4,6,9-10,13H,1-3,5,7-8H2,(H,14,15).
What are the key properties of N-(cyclopropylmethyl)-2-(2-thiophen-3-ylethylamino)acetamide?
N-(cyclopropylmethyl)-2-(2-thiophen-3-ylethylamino)acetamide has a molecular weight of 238.36 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(2-thiophen-3-ylethylamino)acetamide is sourced from PubChem (CID 60976875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).