N-[4-[(4-propan-2-yloxyphenyl)-prop-2-enylsulfamoyl]phenyl]acetamide

C20H24N2O4S — CID 100501553

IUPACN-[4-[(4-propan-2-yloxyphenyl)-prop-2-enylsulfamoyl]phenyl]acetamide
SMILESC=CCN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C20H24N2O4S/c1-5-14-22(18-8-10-19(11-9-18)26-15(2)3)27(24,25)20-12-6-17(7-13-20)21-16(4)23/h5-13,15H,1,14H2,2-4H3,(H,21,23)
InChIKeyIVBNZDVYPLMAHC-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.81
Rot. Bonds8

About N-[4-[(4-propan-2-yloxyphenyl)-prop-2-enylsulfamoyl]phenyl]acetamide

N-[4-[(4-propan-2-yloxyphenyl)-prop-2-enylsulfamoyl]phenyl]acetamide (PubChem CID 100501553) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[4-[(4-propan-2-yloxyphenyl)-prop-2-enylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-propan-2-yloxyphenyl)-prop-2-enylsulfamoyl]phenyl]acetamide
PubChem CID100501553
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-[4-[(4-propan-2-yloxyphenyl)-prop-2-enylsulfamoyl]phenyl]acetamide
SMILESC=CCN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C20H24N2O4S/c1-5-14-22(18-8-10-19(11-9-18)26-15(2)3)27(24,25)20-12-6-17(7-13-20)21-16(4)23/h5-13,15H,1,14H2,2-4H3,(H,21,23)
InChIKeyIVBNZDVYPLMAHC-UHFFFAOYSA-N
XLogP3.81
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-propan-2-yloxyphenyl)-prop-2-enylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(4-propan-2-yloxyphenyl)-prop-2-enylsulfamoyl]phenyl]acetamide (CID 100501553) is N-[4-[(4-propan-2-yloxyphenyl)-prop-2-enylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4-propan-2-yloxyphenyl)-prop-2-enylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(4-propan-2-yloxyphenyl)-prop-2-enylsulfamoyl]phenyl]acetamide is C=CCN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[(4-propan-2-yloxyphenyl)-prop-2-enylsulfamoyl]phenyl]acetamide?
The InChIKey is IVBNZDVYPLMAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-5-14-22(18-8-10-19(11-9-18)26-15(2)3)27(24,25)20-12-6-17(7-13-20)21-16(4)23/h5-13,15H,1,14H2,2-4H3,(H,21,23).
What are the key properties of N-[4-[(4-propan-2-yloxyphenyl)-prop-2-enylsulfamoyl]phenyl]acetamide?
N-[4-[(4-propan-2-yloxyphenyl)-prop-2-enylsulfamoyl]phenyl]acetamide has a molecular weight of 388.49 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-propan-2-yloxyphenyl)-prop-2-enylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 100501553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).