1-ethyl-2-phenyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide

C17H19NOS — CID 174883213

IUPAC1-ethyl-2-phenyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide
SMILESCCC1(C(=O)NCc2cccs2)CC1c1ccccc1
InChIInChI=1S/C17H19NOS/c1-2-17(11-15(17)13-7-4-3-5-8-13)16(19)18-12-14-9-6-10-20-14/h3-10,15H,2,11-12H2,1H3,(H,18,19)
InChIKeyURPCIKVXBAVPNM-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.95
Rot. Bonds5

About 1-ethyl-2-phenyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide

1-ethyl-2-phenyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 174883213) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-ethyl-2-phenyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-ethyl-2-phenyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide
PubChem CID174883213
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name1-ethyl-2-phenyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide
SMILESCCC1(C(=O)NCc2cccs2)CC1c1ccccc1
InChIInChI=1S/C17H19NOS/c1-2-17(11-15(17)13-7-4-3-5-8-13)16(19)18-12-14-9-6-10-20-14/h3-10,15H,2,11-12H2,1H3,(H,18,19)
InChIKeyURPCIKVXBAVPNM-UHFFFAOYSA-N
XLogP3.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(thiophen-2-ylmethyl)adamantane-1-carboxamide
CID 2805256
1-phenyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide
CID 2517264
1-(thiophen-2-ylmethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62096590
3-(thiophen-2-ylmethylcarbamoyl)oxetane-3-carboxylic acid
CID 115184971
1-(hydroxymethyl)-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide
CID 115184040
3-phenyl-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide
CID 52990919
trans-ethyl (1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylate
CID 102520538
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
4-amino-3-methyl-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide
CID 66248831
2-(1-adamantyl)-N-(thiophen-2-ylmethyl)propanamide
CID 91580682
(3R)-3-phenyl-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide
CID 51895132
1-(1-cyclopropylethyl)-3-(thiophen-2-ylmethyl)urea
CID 47125498

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-phenyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-ethyl-2-phenyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide (CID 174883213) is 1-ethyl-2-phenyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-ethyl-2-phenyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-ethyl-2-phenyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide is CCC1(C(=O)NCc2cccs2)CC1c1ccccc1.
What is the InChIKey of 1-ethyl-2-phenyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is URPCIKVXBAVPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-2-17(11-15(17)13-7-4-3-5-8-13)16(19)18-12-14-9-6-10-20-14/h3-10,15H,2,11-12H2,1H3,(H,18,19).
What are the key properties of 1-ethyl-2-phenyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide?
1-ethyl-2-phenyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 285.41 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-phenyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 174883213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).