2-[4-[3-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonylphenyl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]acetamide

C23H29N3O7S2 — CID 146210965

IUPAC2-[4-[3-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonylphenyl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]acetamide
SMILESC=CS(=O)(=O)NCC1CCN(S(=O)(=O)c2ccc(CC(=O)NCc3ccc(O)c(OC)c3)cc2)C1
InChIInChI=1S/C23H29N3O7S2/c1-3-34(29,30)25-15-19-10-11-26(16-19)35(31,32)20-7-4-17(5-8-20)13-23(28)24-14-18-6-9-21(27)22(12-18)33-2/h3-9,12,19,25,27H,1,10-11,13-16H2,2H3,(H,24,28)
InChIKeyHPZJZHXVRZDQCM-UHFFFAOYSA-N
MW523.63 g/mol
LogP1.33
Rot. Bonds11

About 2-[4-[3-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonylphenyl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]acetamide

2-[4-[3-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonylphenyl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]acetamide (PubChem CID 146210965) has the molecular formula C23H29N3O7S2 and a molecular weight of 523.63 g/mol. Its IUPAC name is 2-[4-[3-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonylphenyl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-[3-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonylphenyl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]acetamide
PubChem CID146210965
Molecular FormulaC23H29N3O7S2
Molecular Weight523.63 g/mol
Exact Mass523.14
IUPAC Name2-[4-[3-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonylphenyl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]acetamide
SMILESC=CS(=O)(=O)NCC1CCN(S(=O)(=O)c2ccc(CC(=O)NCc3ccc(O)c(OC)c3)cc2)C1
InChIInChI=1S/C23H29N3O7S2/c1-3-34(29,30)25-15-19-10-11-26(16-19)35(31,32)20-7-4-17(5-8-20)13-23(28)24-14-18-6-9-21(27)22(12-18)33-2/h3-9,12,19,25,27H,1,10-11,13-16H2,2H3,(H,24,28)
InChIKeyHPZJZHXVRZDQCM-UHFFFAOYSA-N
XLogP1.33
TPSA142.11 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.63
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[4-[3-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonylphenyl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dichlorophenyl)-N-[[4-[(3R)-3-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonylphenyl]methyl]acetamide
CID 146210794
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
2-[4-[3-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonylphenyl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 146211783
2-[4-[(3R)-3-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonylphenyl]-N-(3-methyloxetan-3-yl)acetamide
CID 146211204
N-[[(3S)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211982
N-[[(3R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211401
N-[[(3R)-1-[(2-methoxy-2,3-dihydro-1H-inden-5-yl)sulfonyl]pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211986
4-[(3R)-3-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonyl-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]benzamide
CID 146211343
N-[[1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211846
N-[[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]ethenesulfonamide
CID 146211158
N-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210433

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonylphenyl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[4-[3-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonylphenyl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]acetamide (CID 146210965) is 2-[4-[3-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonylphenyl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-[3-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonylphenyl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-[3-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonylphenyl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]acetamide is C=CS(=O)(=O)NCC1CCN(S(=O)(=O)c2ccc(CC(=O)NCc3ccc(O)c(OC)c3)cc2)C1.
What is the InChIKey of 2-[4-[3-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonylphenyl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]acetamide?
The InChIKey is HPZJZHXVRZDQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O7S2/c1-3-34(29,30)25-15-19-10-11-26(16-19)35(31,32)20-7-4-17(5-8-20)13-23(28)24-14-18-6-9-21(27)22(12-18)33-2/h3-9,12,19,25,27H,1,10-11,13-16H2,2H3,(H,24,28).
What are the key properties of 2-[4-[3-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonylphenyl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]acetamide?
2-[4-[3-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonylphenyl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]acetamide has a molecular weight of 523.63 g/mol, XLogP of 1.33, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonylphenyl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 146210965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).