2-[4-(cyanomethyl)phenoxy]-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide

C23H29N3O5S — CID 55401486

IUPAC2-[4-(cyanomethyl)phenoxy]-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)COc2ccc(CC#N)cc2)c1
InChIInChI=1S/C23H29N3O5S/c1-5-26(6-2)32(28,29)20-11-12-22(31-17(3)4)21(15-20)25-23(27)16-30-19-9-7-18(8-10-19)13-14-24/h7-12,15,17H,5-6,13,16H2,1-4H3,(H,25,27)
InChIKeyUIDXXAMHEGSQCY-UHFFFAOYSA-N
MW459.57 g/mol
LogP3.59
Rot. Bonds11

About 2-[4-(cyanomethyl)phenoxy]-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide

2-[4-(cyanomethyl)phenoxy]-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide (PubChem CID 55401486) has the molecular formula C23H29N3O5S and a molecular weight of 459.57 g/mol. Its IUPAC name is 2-[4-(cyanomethyl)phenoxy]-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide.

Molecular Properties

Compound Name2-[4-(cyanomethyl)phenoxy]-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide
PubChem CID55401486
Molecular FormulaC23H29N3O5S
Molecular Weight459.57 g/mol
Exact Mass459.18
IUPAC Name2-[4-(cyanomethyl)phenoxy]-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)COc2ccc(CC#N)cc2)c1
InChIInChI=1S/C23H29N3O5S/c1-5-26(6-2)32(28,29)20-11-12-22(31-17(3)4)21(15-20)25-23(27)16-30-19-9-7-18(8-10-19)13-14-24/h7-12,15,17H,5-6,13,16H2,1-4H3,(H,25,27)
InChIKeyUIDXXAMHEGSQCY-UHFFFAOYSA-N
XLogP3.59
TPSA108.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-ethylphenoxy)acetamide
CID 19180420
2-(4-cyanophenoxy)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]propanamide
CID 16552710
2-(2-chlorophenoxy)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide
CID 4820431
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-propylphenoxy)acetamide
CID 19180421
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-methylpentanamide
CID 26354245
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19180438
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(3,4-dimethylphenoxy)acetamide
CID 2793125
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]cyclopropanecarboxamide
CID 26354488
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3-(2-fluorophenyl)propanamide
CID 29170953
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]cyclopentanecarboxamide
CID 4820427
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-methylsulfonylbenzamide
CID 26354339
2-(2-chloro-4-cyanophenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 55404926

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyanomethyl)phenoxy]-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide?
The IUPAC name of 2-[4-(cyanomethyl)phenoxy]-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide (CID 55401486) is 2-[4-(cyanomethyl)phenoxy]-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide.
What is the SMILES notation for 2-[4-(cyanomethyl)phenoxy]-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide?
The canonical SMILES for 2-[4-(cyanomethyl)phenoxy]-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide is CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)COc2ccc(CC#N)cc2)c1.
What is the InChIKey of 2-[4-(cyanomethyl)phenoxy]-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide?
The InChIKey is UIDXXAMHEGSQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5S/c1-5-26(6-2)32(28,29)20-11-12-22(31-17(3)4)21(15-20)25-23(27)16-30-19-9-7-18(8-10-19)13-14-24/h7-12,15,17H,5-6,13,16H2,1-4H3,(H,25,27).
What are the key properties of 2-[4-(cyanomethyl)phenoxy]-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide?
2-[4-(cyanomethyl)phenoxy]-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide has a molecular weight of 459.57 g/mol, XLogP of 3.59, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyanomethyl)phenoxy]-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide is sourced from PubChem (CID 55401486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).