3-[(4-ethoxyphenyl)sulfonylamino]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]propanamide

C21H33N3O4S2 — CID 39179857

IUPAC3-[(4-ethoxyphenyl)sulfonylamino]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)NCC2(N3CCSCC3)CCCC2)cc1
InChIInChI=1S/C21H33N3O4S2/c1-2-28-18-5-7-19(8-6-18)30(26,27)23-12-9-20(25)22-17-21(10-3-4-11-21)24-13-15-29-16-14-24/h5-8,23H,2-4,9-17H2,1H3,(H,22,25)
InChIKeyZLARPSPETCGVNX-UHFFFAOYSA-N
MW455.65 g/mol
LogP2.23
Rot. Bonds10

About 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]propanamide

3-[(4-ethoxyphenyl)sulfonylamino]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]propanamide (PubChem CID 39179857) has the molecular formula C21H33N3O4S2 and a molecular weight of 455.65 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]propanamide.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)sulfonylamino]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]propanamide
PubChem CID39179857
Molecular FormulaC21H33N3O4S2
Molecular Weight455.65 g/mol
Exact Mass455.19
IUPAC Name3-[(4-ethoxyphenyl)sulfonylamino]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)NCC2(N3CCSCC3)CCCC2)cc1
InChIInChI=1S/C21H33N3O4S2/c1-2-28-18-5-7-19(8-6-18)30(26,27)23-12-9-20(25)22-17-21(10-3-4-11-21)24-13-15-29-16-14-24/h5-8,23H,2-4,9-17H2,1H3,(H,22,25)
InChIKeyZLARPSPETCGVNX-UHFFFAOYSA-N
XLogP2.23
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.65
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-ethoxyphenyl)sulfonylamino]-N-propylpropanamide
CID 18104811
N-(3-aminopropyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 119408093
N-[(2R)-butan-2-yl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 2458972
N-[(2S)-butan-2-yl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 2458973
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 55723405
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 27771241
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120653177
3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 24819717
4-ethoxy-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide
CID 9115821
3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methylcyclohexyl)propanamide
CID 18159331
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 27514876
N-[2-(2,6-dimethylphenoxy)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 55724577

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]propanamide?
The IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]propanamide (CID 39179857) is 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]propanamide.
What is the SMILES notation for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]propanamide?
The canonical SMILES for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]propanamide is CCOc1ccc(S(=O)(=O)NCCC(=O)NCC2(N3CCSCC3)CCCC2)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]propanamide?
The InChIKey is ZLARPSPETCGVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O4S2/c1-2-28-18-5-7-19(8-6-18)30(26,27)23-12-9-20(25)22-17-21(10-3-4-11-21)24-13-15-29-16-14-24/h5-8,23H,2-4,9-17H2,1H3,(H,22,25).
What are the key properties of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]propanamide?
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]propanamide has a molecular weight of 455.65 g/mol, XLogP of 2.23, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]propanamide is sourced from PubChem (CID 39179857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).