N-[1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide

C19H28N2O2S — CID 51195012

IUPACN-[1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
SMILESCC(C)C(NC(=O)c1cccs1)C(=O)NC(C)C1CC2CCC1C2
InChIInChI=1S/C19H28N2O2S/c1-11(2)17(21-18(22)16-5-4-8-24-16)19(23)20-12(3)15-10-13-6-7-14(15)9-13/h4-5,8,11-15,17H,6-7,9-10H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyMQVLJANMDYXSEU-UHFFFAOYSA-N
MW348.51 g/mol
LogP3.44
Rot. Bonds6

About N-[1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide

N-[1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide (PubChem CID 51195012) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is N-[1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
PubChem CID51195012
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC NameN-[1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
SMILESCC(C)C(NC(=O)c1cccs1)C(=O)NC(C)C1CC2CCC1C2
InChIInChI=1S/C19H28N2O2S/c1-11(2)17(21-18(22)16-5-4-8-24-16)19(23)20-12(3)15-10-13-6-7-14(15)9-13/h4-5,8,11-15,17H,6-7,9-10H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyMQVLJANMDYXSEU-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]thiophene-2-carboxamide
CID 129376616
N-[(2S)-1-[[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 98684028
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 98496024
(3S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 129376970
N-[(2S)-1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 6724674
N-[(2R)-1-[(1-acetylpiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 39966093
N-[1-[(2-amino-1-cyclohexylethyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 119591130
N-[(2R)-1-[[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-3-methyl-1-oxobutan-2-yl]-3-(diethylsulfamoyl)benzamide
CID 98399077
3-methyl-2-(thiophene-2-carbonylamino)butanoate
CID 4067887
N-[1-(2-aminoethylamino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 119384385
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 19582703
N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 98272059

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide (CID 51195012) is N-[1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide is CC(C)C(NC(=O)c1cccs1)C(=O)NC(C)C1CC2CCC1C2.
What is the InChIKey of N-[1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?
The InChIKey is MQVLJANMDYXSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2S/c1-11(2)17(21-18(22)16-5-4-8-24-16)19(23)20-12(3)15-10-13-6-7-14(15)9-13/h4-5,8,11-15,17H,6-7,9-10H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of N-[1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?
N-[1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide has a molecular weight of 348.51 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 51195012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).