N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide

C21H33N3O3S2 — CID 55373507

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(SC(C)C(=O)NC(C)C2CC3CCC2C3)nc1
InChIInChI=1S/C21H33N3O3S2/c1-5-24(6-2)29(26,27)18-9-10-20(22-13-18)28-15(4)21(25)23-14(3)19-12-16-7-8-17(19)11-16/h9-10,13-17,19H,5-8,11-12H2,1-4H3,(H,23,25)
InChIKeyJDHNUVSKQQKOJB-UHFFFAOYSA-N
MW439.65 g/mol
LogP3.53
Rot. Bonds9

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide (PubChem CID 55373507) has the molecular formula C21H33N3O3S2 and a molecular weight of 439.65 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide
PubChem CID55373507
Molecular FormulaC21H33N3O3S2
Molecular Weight439.65 g/mol
Exact Mass439.20
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(SC(C)C(=O)NC(C)C2CC3CCC2C3)nc1
InChIInChI=1S/C21H33N3O3S2/c1-5-24(6-2)29(26,27)18-9-10-20(22-13-18)28-15(4)21(25)23-14(3)19-12-16-7-8-17(19)11-16/h9-10,13-17,19H,5-8,11-12H2,1-4H3,(H,23,25)
InChIKeyJDHNUVSKQQKOJB-UHFFFAOYSA-N
XLogP3.53
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.65
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide with MolForge

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Related Compounds

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
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-chloro-3-(diethylsulfamoyl)benzamide
CID 129376494
(2S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-chlorophenyl)sulfanylpropanamide
CID 98670180
(2S)-2-(4-acetamidophenyl)sulfanyl-N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]propanamide
CID 99846623
(2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]propanamide
CID 129419226
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 124719199
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110496304
(2R)-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 124828162
[(2S)-1-[[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-1-oxopropan-2-yl] 4-(dimethylsulfamoyl)benzoate
CID 124828655
(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]propanamide
CID 98408495
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 43020867
2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]propanamide
CID 43028551

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide (CID 55373507) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide is CCN(CC)S(=O)(=O)c1ccc(SC(C)C(=O)NC(C)C2CC3CCC2C3)nc1.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide?
The InChIKey is JDHNUVSKQQKOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3S2/c1-5-24(6-2)29(26,27)18-9-10-20(22-13-18)28-15(4)21(25)23-14(3)19-12-16-7-8-17(19)11-16/h9-10,13-17,19H,5-8,11-12H2,1-4H3,(H,23,25).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide has a molecular weight of 439.65 g/mol, XLogP of 3.53, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide is sourced from PubChem (CID 55373507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).