2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-ethyl-N-phenylacetamide

C18H22N2OS — CID 134001322

IUPAC2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)CN(Cc1cccs1)C1CC1)c1ccccc1
InChIInChI=1S/C18H22N2OS/c1-2-20(16-7-4-3-5-8-16)18(21)14-19(15-10-11-15)13-17-9-6-12-22-17/h3-9,12,15H,2,10-11,13-14H2,1H3
InChIKeyPTVFGJIZYCGRLI-UHFFFAOYSA-N
MW314.45 g/mol
LogP3.77
Rot. Bonds7

About 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-ethyl-N-phenylacetamide

2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-ethyl-N-phenylacetamide (PubChem CID 134001322) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-ethyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-ethyl-N-phenylacetamide
PubChem CID134001322
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)CN(Cc1cccs1)C1CC1)c1ccccc1
InChIInChI=1S/C18H22N2OS/c1-2-20(16-7-4-3-5-8-16)18(21)14-19(15-10-11-15)13-17-9-6-12-22-17/h3-9,12,15H,2,10-11,13-14H2,1H3
InChIKeyPTVFGJIZYCGRLI-UHFFFAOYSA-N
XLogP3.77
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N,N-dipropylacetamide
CID 52569061
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 134001328
1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-one
CID 62029716
3-[cyclopropyl-[2-(N-ethylanilino)-2-oxoethyl]amino]propanoic acid
CID 60839363
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 134001295
2-bromo-N-phenyl-N-(thiophen-2-ylmethyl)acetamide
CID 14292484
2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-2-methylbutanoic acid
CID 62271809
ethyl N-phenyl-N-(thiophen-2-ylmethyl)carbamate
CID 91149975
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
2-[cyclopropyl(ethyl)amino]-N-(furan-2-ylmethyl)-N-phenylacetamide
CID 78877019
4-[cyclopropyl(thiophen-2-ylmethyl)amino]butanoic acid
CID 61448812

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-ethyl-N-phenylacetamide?
The IUPAC name of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-ethyl-N-phenylacetamide (CID 134001322) is 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-ethyl-N-phenylacetamide.
What is the SMILES notation for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-ethyl-N-phenylacetamide?
The canonical SMILES for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-ethyl-N-phenylacetamide is CCN(C(=O)CN(Cc1cccs1)C1CC1)c1ccccc1.
What is the InChIKey of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-ethyl-N-phenylacetamide?
The InChIKey is PTVFGJIZYCGRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-2-20(16-7-4-3-5-8-16)18(21)14-19(15-10-11-15)13-17-9-6-12-22-17/h3-9,12,15H,2,10-11,13-14H2,1H3.
What are the key properties of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-ethyl-N-phenylacetamide?
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-ethyl-N-phenylacetamide has a molecular weight of 314.45 g/mol, XLogP of 3.77, 7 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-phenylacetamide is sourced from PubChem (CID 134001322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).