2-[4-[3-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonylphenyl]-3-piperidin-3-ylpropanamide

C21H32N4O5S2 — CID 146210757

IUPAC2-[4-[3-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonylphenyl]-3-piperidin-3-ylpropanamide
SMILESC=CS(=O)(=O)NCC1CCN(S(=O)(=O)c2ccc(C(CC3CCCNC3)C(N)=O)cc2)C1
InChIInChI=1S/C21H32N4O5S2/c1-2-31(27,28)24-14-17-9-11-25(15-17)32(29,30)19-7-5-18(6-8-19)20(21(22)26)12-16-4-3-10-23-13-16/h2,5-8,16-17,20,23-24H,1,3-4,9-15H2,(H2,22,26)
InChIKeyUYLPSWOGWPIULF-UHFFFAOYSA-N
MW484.64 g/mol
LogP0.72
Rot. Bonds10

About 2-[4-[3-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonylphenyl]-3-piperidin-3-ylpropanamide

2-[4-[3-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonylphenyl]-3-piperidin-3-ylpropanamide (PubChem CID 146210757) has the molecular formula C21H32N4O5S2 and a molecular weight of 484.64 g/mol. Its IUPAC name is 2-[4-[3-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonylphenyl]-3-piperidin-3-ylpropanamide.

Molecular Properties

Compound Name2-[4-[3-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonylphenyl]-3-piperidin-3-ylpropanamide
PubChem CID146210757
Molecular FormulaC21H32N4O5S2
Molecular Weight484.64 g/mol
Exact Mass484.18
IUPAC Name2-[4-[3-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonylphenyl]-3-piperidin-3-ylpropanamide
SMILESC=CS(=O)(=O)NCC1CCN(S(=O)(=O)c2ccc(C(CC3CCCNC3)C(N)=O)cc2)C1
InChIInChI=1S/C21H32N4O5S2/c1-2-31(27,28)24-14-17-9-11-25(15-17)32(29,30)19-7-5-18(6-8-19)20(21(22)26)12-16-4-3-10-23-13-16/h2,5-8,16-17,20,23-24H,1,3-4,9-15H2,(H2,22,26)
InChIKeyUYLPSWOGWPIULF-UHFFFAOYSA-N
XLogP0.72
TPSA138.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.64
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,2-difluorocyclopropyl)-2-[4-[(3R)-3-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonylphenyl]propanamide
CID 146211024
N-[[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]ethenesulfonamide
CID 146211158
(2S)-2-[4-[(3S)-3-[(ethenylsulfonylamino)methyl]pyrrolidine-1-carbonyl]phenyl]-3-[(3R)-piperidin-3-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 146210912
N-[[1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211846
1-[4-[(3R)-3-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonylphenyl]-N,N-dimethylcyclopropane-1-carboxamide
CID 146210891
N-[[1-[4-(1-morpholin-4-yl-1-oxo-3-pyridin-3-ylpropan-2-yl)phenyl]sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211195
N-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210433
2-[4-[3-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonylphenyl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 146211783
2-(3,4-dichlorophenyl)-N-[[4-[(3R)-3-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonylphenyl]methyl]acetamide
CID 146210794
N-[[(3R)-1-[3-(hydroxyamino)phenyl]sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211907
N-[2-(dimethylamino)ethyl]-2-[4-[3-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 146211802
2-[4-[3-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonylphenyl]-N-(2-phenylethyl)acetamide
CID 146210755

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonylphenyl]-3-piperidin-3-ylpropanamide?
The IUPAC name of 2-[4-[3-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonylphenyl]-3-piperidin-3-ylpropanamide (CID 146210757) is 2-[4-[3-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonylphenyl]-3-piperidin-3-ylpropanamide.
What is the SMILES notation for 2-[4-[3-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonylphenyl]-3-piperidin-3-ylpropanamide?
The canonical SMILES for 2-[4-[3-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonylphenyl]-3-piperidin-3-ylpropanamide is C=CS(=O)(=O)NCC1CCN(S(=O)(=O)c2ccc(C(CC3CCCNC3)C(N)=O)cc2)C1.
What is the InChIKey of 2-[4-[3-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonylphenyl]-3-piperidin-3-ylpropanamide?
The InChIKey is UYLPSWOGWPIULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O5S2/c1-2-31(27,28)24-14-17-9-11-25(15-17)32(29,30)19-7-5-18(6-8-19)20(21(22)26)12-16-4-3-10-23-13-16/h2,5-8,16-17,20,23-24H,1,3-4,9-15H2,(H2,22,26).
What are the key properties of 2-[4-[3-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonylphenyl]-3-piperidin-3-ylpropanamide?
2-[4-[3-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonylphenyl]-3-piperidin-3-ylpropanamide has a molecular weight of 484.64 g/mol, XLogP of 0.72, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonylphenyl]-3-piperidin-3-ylpropanamide is sourced from PubChem (CID 146210757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).