2-(4-cyanophenoxy)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]propanamide

C23H29N3O5S — CID 16552710

IUPAC2-(4-cyanophenoxy)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)C(C)Oc2ccc(C#N)cc2)c1
InChIInChI=1S/C23H29N3O5S/c1-6-26(7-2)32(28,29)20-12-13-22(30-16(3)4)21(14-20)25-23(27)17(5)31-19-10-8-18(15-24)9-11-19/h8-14,16-17H,6-7H2,1-5H3,(H,25,27)
InChIKeyREAFFXYDGCTQBH-UHFFFAOYSA-N
MW459.57 g/mol
LogP3.78
Rot. Bonds10

About 2-(4-cyanophenoxy)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]propanamide

2-(4-cyanophenoxy)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]propanamide (PubChem CID 16552710) has the molecular formula C23H29N3O5S and a molecular weight of 459.57 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]propanamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]propanamide
PubChem CID16552710
Molecular FormulaC23H29N3O5S
Molecular Weight459.57 g/mol
Exact Mass459.18
IUPAC Name2-(4-cyanophenoxy)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)C(C)Oc2ccc(C#N)cc2)c1
InChIInChI=1S/C23H29N3O5S/c1-6-26(7-2)32(28,29)20-12-13-22(30-16(3)4)21(14-20)25-23(27)17(5)31-19-10-8-18(15-24)9-11-19/h8-14,16-17H,6-7H2,1-5H3,(H,25,27)
InChIKeyREAFFXYDGCTQBH-UHFFFAOYSA-N
XLogP3.78
TPSA108.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(4-cyanophenoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 8838711
(2R)-2-(4-cyanophenoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 8838712
(2R)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-methoxyphenoxy)propanamide
CID 41477177
2-(4-cyanophenoxy)-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]propanamide
CID 16546080
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-ethylphenoxy)propanamide
CID 53266077
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-fluorophenoxy)propanamide
CID 43000311
2-(4-cyanophenoxy)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide
CID 16552159
2-[4-(cyanomethyl)phenoxy]-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide
CID 55401486
(2R)-2-(4-cyanophenoxy)-N-[3-(diethylsulfamoyl)-4-methylphenyl]propanamide
CID 7892595
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[4-(2-phenylpropan-2-yl)phenoxy]propanamide
CID 53266684
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-methylpentanamide
CID 26354245
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]cyclopropanecarboxamide
CID 26354488

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]propanamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]propanamide (CID 16552710) is 2-(4-cyanophenoxy)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]propanamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]propanamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]propanamide is CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)C(C)Oc2ccc(C#N)cc2)c1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]propanamide?
The InChIKey is REAFFXYDGCTQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5S/c1-6-26(7-2)32(28,29)20-12-13-22(30-16(3)4)21(14-20)25-23(27)17(5)31-19-10-8-18(15-24)9-11-19/h8-14,16-17H,6-7H2,1-5H3,(H,25,27).
What are the key properties of 2-(4-cyanophenoxy)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]propanamide?
2-(4-cyanophenoxy)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]propanamide has a molecular weight of 459.57 g/mol, XLogP of 3.78, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]propanamide is sourced from PubChem (CID 16552710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).