N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-5-ethyl-4-methylthiophene-2-carboxamide

C19H28N2O2S — CID 43054046

IUPACN-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-5-ethyl-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)NCC(=O)NC(C)C2CC3CCC2C3)cc1C
InChIInChI=1S/C19H28N2O2S/c1-4-16-11(2)7-17(24-16)19(23)20-10-18(22)21-12(3)15-9-13-5-6-14(15)8-13/h7,12-15H,4-6,8-10H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyQQRUWKFMGHQOJO-UHFFFAOYSA-N
MW348.51 g/mol
LogP3.29
Rot. Bonds6

About N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-5-ethyl-4-methylthiophene-2-carboxamide

N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-5-ethyl-4-methylthiophene-2-carboxamide (PubChem CID 43054046) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-5-ethyl-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-5-ethyl-4-methylthiophene-2-carboxamide
PubChem CID43054046
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC NameN-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-5-ethyl-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)NCC(=O)NC(C)C2CC3CCC2C3)cc1C
InChIInChI=1S/C19H28N2O2S/c1-4-16-11(2)7-17(24-16)19(23)20-10-18(22)21-12(3)15-9-13-5-6-14(15)8-13/h7,12-15H,4-6,8-10H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyQQRUWKFMGHQOJO-UHFFFAOYSA-N
XLogP3.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-5-ethyl-4-methylthiophene-2-carboxamide with MolForge

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Related Compounds

N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 51163155
N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 46559225
N'-[2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 11941115
N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-3-methylbenzamide
CID 51163154
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-bromo-4-methylthiophene-2-carboxamide
CID 79997853
2-amino-N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]acetamide
CID 60848983
N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-4-ethoxybenzamide
CID 51163159
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(butan-2-ylamino)acetamide
CID 60648644
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromoacetamide
CID 60651144
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 54924868
5-ethyl-N-(2-hydroxy-3-methylbutyl)-4-methylthiophene-2-carboxamide
CID 115701533
[2-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 98620309

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-5-ethyl-4-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-5-ethyl-4-methylthiophene-2-carboxamide (CID 43054046) is N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-5-ethyl-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-5-ethyl-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-5-ethyl-4-methylthiophene-2-carboxamide is CCc1sc(C(=O)NCC(=O)NC(C)C2CC3CCC2C3)cc1C.
What is the InChIKey of N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-5-ethyl-4-methylthiophene-2-carboxamide?
The InChIKey is QQRUWKFMGHQOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2S/c1-4-16-11(2)7-17(24-16)19(23)20-10-18(22)21-12(3)15-9-13-5-6-14(15)8-13/h7,12-15H,4-6,8-10H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-5-ethyl-4-methylthiophene-2-carboxamide?
N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-5-ethyl-4-methylthiophene-2-carboxamide has a molecular weight of 348.51 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-5-ethyl-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 43054046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).