2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-pyrrolidin-3-ylacetamide;hydrochloride

C17H26ClN3O5S — CID 119453904

IUPAC2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-pyrrolidin-3-ylacetamide;hydrochloride
SMILESCOc1ccc(CC(=O)NC2CCNC2)cc1S(=O)(=O)N1CCOCC1.Cl
InChIInChI=1S/C17H25N3O5S.ClH/c1-24-15-3-2-13(11-17(21)19-14-4-5-18-12-14)10-16(15)26(22,23)20-6-8-25-9-7-20;/h2-3,10,14,18H,4-9,11-12H2,1H3,(H,19,21);1H
InChIKeyWYKZIAKOGXZJFW-UHFFFAOYSA-N
MW419.93 g/mol
LogP0.16
Rot. Bonds6

About 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-pyrrolidin-3-ylacetamide;hydrochloride

2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-pyrrolidin-3-ylacetamide;hydrochloride (PubChem CID 119453904) has the molecular formula C17H26ClN3O5S and a molecular weight of 419.93 g/mol. Its IUPAC name is 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-pyrrolidin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-pyrrolidin-3-ylacetamide;hydrochloride
PubChem CID119453904
Molecular FormulaC17H26ClN3O5S
Molecular Weight419.93 g/mol
Exact Mass419.13
IUPAC Name2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-pyrrolidin-3-ylacetamide;hydrochloride
SMILESCOc1ccc(CC(=O)NC2CCNC2)cc1S(=O)(=O)N1CCOCC1.Cl
InChIInChI=1S/C17H25N3O5S.ClH/c1-24-15-3-2-13(11-17(21)19-14-4-5-18-12-14)10-16(15)26(22,23)20-6-8-25-9-7-20;/h2-3,10,14,18H,4-9,11-12H2,1H3,(H,19,21);1H
InChIKeyWYKZIAKOGXZJFW-UHFFFAOYSA-N
XLogP0.16
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.93
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-amino-2-methylpropyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 119630260
N-[(2S)-1-aminopropan-2-yl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride
CID 120507324
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-prop-2-enylacetamide
CID 35017947
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[3-(methylamino)propyl]acetamide
CID 119433834
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119264823
2-methoxy-5-morpholin-4-ylsulfonyl-N-pyrrolidin-3-ylbenzamide
CID 119450765
N-(3,4-dimethylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26593882
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 40985124
N'-[2-(4-fluorophenoxy)acetyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetohydrazide
CID 4847004
2-(3,4-dichlorophenyl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 25438234
N-(3-bromophenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 29169210
1-[(3S)-3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)ethanone
CID 98188587

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-pyrrolidin-3-ylacetamide;hydrochloride?
The IUPAC name of 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-pyrrolidin-3-ylacetamide;hydrochloride (CID 119453904) is 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-pyrrolidin-3-ylacetamide;hydrochloride.
What is the SMILES notation for 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-pyrrolidin-3-ylacetamide;hydrochloride?
The canonical SMILES for 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-pyrrolidin-3-ylacetamide;hydrochloride is COc1ccc(CC(=O)NC2CCNC2)cc1S(=O)(=O)N1CCOCC1.Cl.
What is the InChIKey of 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-pyrrolidin-3-ylacetamide;hydrochloride?
The InChIKey is WYKZIAKOGXZJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5S.ClH/c1-24-15-3-2-13(11-17(21)19-14-4-5-18-12-14)10-16(15)26(22,23)20-6-8-25-9-7-20;/h2-3,10,14,18H,4-9,11-12H2,1H3,(H,19,21);1H.
What are the key properties of 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-pyrrolidin-3-ylacetamide;hydrochloride?
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-pyrrolidin-3-ylacetamide;hydrochloride has a molecular weight of 419.93 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-pyrrolidin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119453904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).