3-ethylsulfanyl-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide

C19H24N2O5S2 — CID 55790257

IUPAC3-ethylsulfanyl-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
SMILESCCSCCC(=O)Nc1ccc(OC)c(S(=O)(=O)Nc2ccc(OC)cc2)c1
InChIInChI=1S/C19H24N2O5S2/c1-4-27-12-11-19(22)20-15-7-10-17(26-3)18(13-15)28(23,24)21-14-5-8-16(25-2)9-6-14/h5-10,13,21H,4,11-12H2,1-3H3,(H,20,22)
InChIKeyOMDACOYRKIUNEU-UHFFFAOYSA-N
MW424.54 g/mol
LogP3.59
Rot. Bonds10

About 3-ethylsulfanyl-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide

3-ethylsulfanyl-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide (PubChem CID 55790257) has the molecular formula C19H24N2O5S2 and a molecular weight of 424.54 g/mol. Its IUPAC name is 3-ethylsulfanyl-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name3-ethylsulfanyl-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
PubChem CID55790257
Molecular FormulaC19H24N2O5S2
Molecular Weight424.54 g/mol
Exact Mass424.11
IUPAC Name3-ethylsulfanyl-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
SMILESCCSCCC(=O)Nc1ccc(OC)c(S(=O)(=O)Nc2ccc(OC)cc2)c1
InChIInChI=1S/C19H24N2O5S2/c1-4-27-12-11-19(22)20-15-7-10-17(26-3)18(13-15)28(23,24)21-14-5-8-16(25-2)9-6-14/h5-10,13,21H,4,11-12H2,1-3H3,(H,20,22)
InChIKeyOMDACOYRKIUNEU-UHFFFAOYSA-N
XLogP3.59
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 53.59
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-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-methylsulfanylacetamide
CID 4788054
4-(4-ethoxyphenyl)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide
CID 4851333
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]butanamide
CID 30877312
N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 26851497
4-(2,5-dimethylphenyl)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide
CID 4968937
trans-(1R,2R)-N-[2-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]anilino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 30894530
2-(2-fluorophenoxy)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 3279228
tert-butyl N-[3-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyanilino]-3-oxopropyl]carbamate
CID 26259494
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-fluorophenyl)propanamide
CID 30707064
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 3484295
3-(2,6-difluorophenyl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]propanamide
CID 55651750
3,5-difluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 26851473

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide?
The IUPAC name of 3-ethylsulfanyl-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide (CID 55790257) is 3-ethylsulfanyl-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for 3-ethylsulfanyl-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for 3-ethylsulfanyl-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide is CCSCCC(=O)Nc1ccc(OC)c(S(=O)(=O)Nc2ccc(OC)cc2)c1.
What is the InChIKey of 3-ethylsulfanyl-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide?
The InChIKey is OMDACOYRKIUNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S2/c1-4-27-12-11-19(22)20-15-7-10-17(26-3)18(13-15)28(23,24)21-14-5-8-16(25-2)9-6-14/h5-10,13,21H,4,11-12H2,1-3H3,(H,20,22).
What are the key properties of 3-ethylsulfanyl-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide?
3-ethylsulfanyl-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide has a molecular weight of 424.54 g/mol, XLogP of 3.59, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 55790257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).