N-[4-(dipropylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)propanamide

C24H34N2O4S — CID 4953686

IUPACN-[4-(dipropylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)propanamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(NC(=O)C(C)Oc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C24H34N2O4S/c1-6-16-26(17-7-2)31(28,29)23-14-10-21(11-15-23)25-24(27)19(5)30-22-12-8-20(9-13-22)18(3)4/h8-15,18-19H,6-7,16-17H2,1-5H3,(H,25,27)
InChIKeyUJWOQMIHHBVRQX-UHFFFAOYSA-N
MW446.61 g/mol
LogP5.03
Rot. Bonds11

About N-[4-(dipropylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)propanamide

N-[4-(dipropylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)propanamide (PubChem CID 4953686) has the molecular formula C24H34N2O4S and a molecular weight of 446.61 g/mol. Its IUPAC name is N-[4-(dipropylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-[4-(dipropylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)propanamide
PubChem CID4953686
Molecular FormulaC24H34N2O4S
Molecular Weight446.61 g/mol
Exact Mass446.22
IUPAC NameN-[4-(dipropylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)propanamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(NC(=O)C(C)Oc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C24H34N2O4S/c1-6-16-26(17-7-2)31(28,29)23-14-10-21(11-15-23)25-24(27)19(5)30-22-12-8-20(9-13-22)18(3)4/h8-15,18-19H,6-7,16-17H2,1-5H3,(H,25,27)
InChIKeyUJWOQMIHHBVRQX-UHFFFAOYSA-N
XLogP5.03
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.61
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dipropylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-[4-(dipropylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)propanamide (CID 4953686) is N-[4-(dipropylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-[4-(dipropylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-[4-(dipropylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)propanamide is CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)C(C)Oc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of N-[4-(dipropylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)propanamide?
The InChIKey is UJWOQMIHHBVRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O4S/c1-6-16-26(17-7-2)31(28,29)23-14-10-21(11-15-23)25-24(27)19(5)30-22-12-8-20(9-13-22)18(3)4/h8-15,18-19H,6-7,16-17H2,1-5H3,(H,25,27).
What are the key properties of N-[4-(dipropylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)propanamide?
N-[4-(dipropylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)propanamide has a molecular weight of 446.61 g/mol, XLogP of 5.03, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dipropylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 4953686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).