2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[3-(methylamino)propyl]acetamide

C17H27N3O5S — CID 119433834

IUPAC2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[3-(methylamino)propyl]acetamide
SMILESCNCCCNC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H27N3O5S/c1-18-6-3-7-19-17(21)13-14-4-5-15(24-2)16(12-14)26(22,23)20-8-10-25-11-9-20/h4-5,12,18H,3,6-11,13H2,1-2H3,(H,19,21)
InChIKeyIQFWMXPQNAHKPP-UHFFFAOYSA-N
MW385.49 g/mol
LogP-0.02
Rot. Bonds9

About 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[3-(methylamino)propyl]acetamide

2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[3-(methylamino)propyl]acetamide (PubChem CID 119433834) has the molecular formula C17H27N3O5S and a molecular weight of 385.49 g/mol. Its IUPAC name is 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[3-(methylamino)propyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[3-(methylamino)propyl]acetamide
PubChem CID119433834
Molecular FormulaC17H27N3O5S
Molecular Weight385.49 g/mol
Exact Mass385.17
IUPAC Name2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[3-(methylamino)propyl]acetamide
SMILESCNCCCNC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H27N3O5S/c1-18-6-3-7-19-17(21)13-14-4-5-15(24-2)16(12-14)26(22,23)20-8-10-25-11-9-20/h4-5,12,18H,3,6-11,13H2,1-2H3,(H,19,21)
InChIKeyIQFWMXPQNAHKPP-UHFFFAOYSA-N
XLogP-0.02
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-methylpropyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 119630260
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-prop-2-enylacetamide
CID 35017947
N-(3,4-dimethylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26593882
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(methylamino)butanamide
CID 119677486
N-[(2S)-1-aminopropan-2-yl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride
CID 120507324
N'-[2-(4-fluorophenoxy)acetyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetohydrazide
CID 4847004
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119453904
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
2-(3,4-dimethoxyphenyl)-N-[3-(methylamino)propyl]acetamide
CID 43600817
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 24979442
4-methoxy-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 18892275

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[3-(methylamino)propyl]acetamide?
The IUPAC name of 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[3-(methylamino)propyl]acetamide (CID 119433834) is 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[3-(methylamino)propyl]acetamide.
What is the SMILES notation for 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[3-(methylamino)propyl]acetamide?
The canonical SMILES for 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[3-(methylamino)propyl]acetamide is CNCCCNC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[3-(methylamino)propyl]acetamide?
The InChIKey is IQFWMXPQNAHKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O5S/c1-18-6-3-7-19-17(21)13-14-4-5-15(24-2)16(12-14)26(22,23)20-8-10-25-11-9-20/h4-5,12,18H,3,6-11,13H2,1-2H3,(H,19,21).
What are the key properties of 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[3-(methylamino)propyl]acetamide?
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[3-(methylamino)propyl]acetamide has a molecular weight of 385.49 g/mol, XLogP of -0.02, 9 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-[3-(methylamino)propyl]acetamide is sourced from PubChem (CID 119433834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).