3-[3-[(4-ethoxyphenyl)sulfonylamino]phenyl]propyl acetate

C19H23NO5S — CID 75524807

IUPAC3-[3-[(4-ethoxyphenyl)sulfonylamino]phenyl]propyl acetate
SMILESCCOc1ccc(S(=O)(=O)Nc2cccc(CCCOC(C)=O)c2)cc1
InChIInChI=1S/C19H23NO5S/c1-3-24-18-9-11-19(12-10-18)26(22,23)20-17-8-4-6-16(14-17)7-5-13-25-15(2)21/h4,6,8-12,14,20H,3,5,7,13H2,1-2H3
InChIKeyMFULABSLRDRXIH-UHFFFAOYSA-N
MW377.46 g/mol
LogP3.38
Rot. Bonds9

About 3-[3-[(4-ethoxyphenyl)sulfonylamino]phenyl]propyl acetate

3-[3-[(4-ethoxyphenyl)sulfonylamino]phenyl]propyl acetate (PubChem CID 75524807) has the molecular formula C19H23NO5S and a molecular weight of 377.46 g/mol. Its IUPAC name is 3-[3-[(4-ethoxyphenyl)sulfonylamino]phenyl]propyl acetate.

Molecular Properties

Compound Name3-[3-[(4-ethoxyphenyl)sulfonylamino]phenyl]propyl acetate
PubChem CID75524807
Molecular FormulaC19H23NO5S
Molecular Weight377.46 g/mol
Exact Mass377.13
IUPAC Name3-[3-[(4-ethoxyphenyl)sulfonylamino]phenyl]propyl acetate
SMILESCCOc1ccc(S(=O)(=O)Nc2cccc(CCCOC(C)=O)c2)cc1
InChIInChI=1S/C19H23NO5S/c1-3-24-18-9-11-19(12-10-18)26(22,23)20-17-8-4-6-16(14-17)7-5-13-25-15(2)21/h4,6,8-12,14,20H,3,5,7,13H2,1-2H3
InChIKeyMFULABSLRDRXIH-UHFFFAOYSA-N
XLogP3.38
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(4-ethoxyphenoxy)methyl]phenyl]-4-methylbenzenesulfonamide
CID 169372191
3-[2-[3-[(4-ethoxyphenyl)sulfonylamino]phenyl]ethynyl]benzoic acid
CID 25358850
N-(2-amino-2-oxoethyl)-3-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 9295740
3-[3-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]propyl acetate
CID 75524808
3-phenylpropyl 4-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxobutanoate
CID 4934759
3-[(4-ethoxyphenyl)sulfamoyl]benzoate
CID 7040417
4-ethoxy-N-naphthalen-2-ylbenzenesulfonamide
CID 7938656
N-[3-(3-oxo-5-phenoxypentyl)phenyl]benzenesulfonamide
CID 175146708
N-[3-(azepane-1-carbonyl)phenyl]-4-ethoxybenzenesulfonamide
CID 7398605
diethyl 5-[(4-ethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 7938305
2-chloro-5-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 35546601
1-[[3-[(4-ethoxyphenyl)sulfonylamino]benzoyl]amino]-3-(2-phenylethyl)thiourea
CID 4847637

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-ethoxyphenyl)sulfonylamino]phenyl]propyl acetate?
The IUPAC name of 3-[3-[(4-ethoxyphenyl)sulfonylamino]phenyl]propyl acetate (CID 75524807) is 3-[3-[(4-ethoxyphenyl)sulfonylamino]phenyl]propyl acetate.
What is the SMILES notation for 3-[3-[(4-ethoxyphenyl)sulfonylamino]phenyl]propyl acetate?
The canonical SMILES for 3-[3-[(4-ethoxyphenyl)sulfonylamino]phenyl]propyl acetate is CCOc1ccc(S(=O)(=O)Nc2cccc(CCCOC(C)=O)c2)cc1.
What is the InChIKey of 3-[3-[(4-ethoxyphenyl)sulfonylamino]phenyl]propyl acetate?
The InChIKey is MFULABSLRDRXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5S/c1-3-24-18-9-11-19(12-10-18)26(22,23)20-17-8-4-6-16(14-17)7-5-13-25-15(2)21/h4,6,8-12,14,20H,3,5,7,13H2,1-2H3.
What are the key properties of 3-[3-[(4-ethoxyphenyl)sulfonylamino]phenyl]propyl acetate?
3-[3-[(4-ethoxyphenyl)sulfonylamino]phenyl]propyl acetate has a molecular weight of 377.46 g/mol, XLogP of 3.38, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-ethoxyphenyl)sulfonylamino]phenyl]propyl acetate is sourced from PubChem (CID 75524807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).