3-[(2-chlorophenyl)sulfonylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]propanamide

C19H23ClN2O5S — CID 55858772

IUPAC3-[(2-chlorophenyl)sulfonylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]propanamide
SMILESCOCCOc1cccc(CNC(=O)CCNS(=O)(=O)c2ccccc2Cl)c1
InChIInChI=1S/C19H23ClN2O5S/c1-26-11-12-27-16-6-4-5-15(13-16)14-21-19(23)9-10-22-28(24,25)18-8-3-2-7-17(18)20/h2-8,13,22H,9-12,14H2,1H3,(H,21,23)
InChIKeyFMFMEDCDBXRGRE-UHFFFAOYSA-N
MW426.92 g/mol
LogP2.35
Rot. Bonds11

About 3-[(2-chlorophenyl)sulfonylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]propanamide

3-[(2-chlorophenyl)sulfonylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]propanamide (PubChem CID 55858772) has the molecular formula C19H23ClN2O5S and a molecular weight of 426.92 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)sulfonylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)sulfonylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]propanamide
PubChem CID55858772
Molecular FormulaC19H23ClN2O5S
Molecular Weight426.92 g/mol
Exact Mass426.10
IUPAC Name3-[(2-chlorophenyl)sulfonylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]propanamide
SMILESCOCCOc1cccc(CNC(=O)CCNS(=O)(=O)c2ccccc2Cl)c1
InChIInChI=1S/C19H23ClN2O5S/c1-26-11-12-27-16-6-4-5-15(13-16)14-21-19(23)9-10-22-28(24,25)18-8-3-2-7-17(18)20/h2-8,13,22H,9-12,14H2,1H3,(H,21,23)
InChIKeyFMFMEDCDBXRGRE-UHFFFAOYSA-N
XLogP2.35
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.92
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-chlorophenyl)sulfonylamino]-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide
CID 55855014
3-(2-chlorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]propanamide
CID 25162879
3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119289322
N-[3-[[3-[(2-chlorophenyl)sulfonylamino]propanoylamino]methyl]phenyl]-4-fluorobenzamide
CID 55947108
2-[(2-chlorophenyl)methoxy]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 55801251
3-[(2-chlorophenyl)sulfonylamino]-N-(thiophen-3-ylmethyl)propanamide
CID 55694010
3-[(2-chlorophenyl)sulfonylamino]-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide
CID 55635678
N-[(3-methoxyphenyl)methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 9495720
2-chloro-N-[3-(3-methylphenoxy)propyl]benzenesulfonamide
CID 46644070
N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-phenothiazin-10-ylpropanamide
CID 55804446
N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide
CID 55662373
N-[2-[[3-(2-methoxyethoxy)phenyl]methylamino]-2-oxoethyl]-3,3-dimethylbutanamide
CID 86829840

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)sulfonylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]propanamide?
The IUPAC name of 3-[(2-chlorophenyl)sulfonylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]propanamide (CID 55858772) is 3-[(2-chlorophenyl)sulfonylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]propanamide.
What is the SMILES notation for 3-[(2-chlorophenyl)sulfonylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]propanamide?
The canonical SMILES for 3-[(2-chlorophenyl)sulfonylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]propanamide is COCCOc1cccc(CNC(=O)CCNS(=O)(=O)c2ccccc2Cl)c1.
What is the InChIKey of 3-[(2-chlorophenyl)sulfonylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]propanamide?
The InChIKey is FMFMEDCDBXRGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O5S/c1-26-11-12-27-16-6-4-5-15(13-16)14-21-19(23)9-10-22-28(24,25)18-8-3-2-7-17(18)20/h2-8,13,22H,9-12,14H2,1H3,(H,21,23).
What are the key properties of 3-[(2-chlorophenyl)sulfonylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]propanamide?
3-[(2-chlorophenyl)sulfonylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]propanamide has a molecular weight of 426.92 g/mol, XLogP of 2.35, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)sulfonylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]propanamide is sourced from PubChem (CID 55858772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).