(2R)-2-(4-cyanophenoxy)-N-[3-(diethylsulfamoyl)-4-methylphenyl]propanamide

C21H25N3O4S — CID 7892595

IUPAC(2R)-2-(4-cyanophenoxy)-N-[3-(diethylsulfamoyl)-4-methylphenyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)ccc1C
InChIInChI=1S/C21H25N3O4S/c1-5-24(6-2)29(26,27)20-13-18(10-7-15(20)3)23-21(25)16(4)28-19-11-8-17(14-22)9-12-19/h7-13,16H,5-6H2,1-4H3,(H,23,25)/t16-/m1/s1
InChIKeyLSRIDIPQSFQHBW-MRXNPFEDSA-N
MW415.52 g/mol
LogP3.30
Rot. Bonds8

About (2R)-2-(4-cyanophenoxy)-N-[3-(diethylsulfamoyl)-4-methylphenyl]propanamide

(2R)-2-(4-cyanophenoxy)-N-[3-(diethylsulfamoyl)-4-methylphenyl]propanamide (PubChem CID 7892595) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is (2R)-2-(4-cyanophenoxy)-N-[3-(diethylsulfamoyl)-4-methylphenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-cyanophenoxy)-N-[3-(diethylsulfamoyl)-4-methylphenyl]propanamide
PubChem CID7892595
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC Name(2R)-2-(4-cyanophenoxy)-N-[3-(diethylsulfamoyl)-4-methylphenyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)ccc1C
InChIInChI=1S/C21H25N3O4S/c1-5-24(6-2)29(26,27)20-13-18(10-7-15(20)3)23-21(25)16(4)28-19-11-8-17(14-22)9-12-19/h7-13,16H,5-6H2,1-4H3,(H,23,25)/t16-/m1/s1
InChIKeyLSRIDIPQSFQHBW-MRXNPFEDSA-N
XLogP3.30
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(3-fluorophenoxy)propanamide
CID 112781624
(2R)-N-(3-cyanophenyl)-2-[3-(diethylsulfamoyl)-4-methylanilino]propanamide
CID 25408581
2-(4-cyanophenoxy)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 16545878
(2S)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenoxypropanamide
CID 7812070
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenoxypropanamide
CID 5138475
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)propanamide
CID 55504436
2-(4-cyanophenoxy)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]propanamide
CID 16552710
(2R)-2-(4-cyanophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 7818704
(2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(3,4-dimethylphenoxy)propanamide
CID 40768898
2-(4-cyanophenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 16548273
(2S)-2-(4-cyanophenoxy)-N-naphthalen-2-ylpropanamide
CID 9412867
2-(4-cyanophenoxy)-N-naphthalen-2-ylpropanamide
CID 78762344

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-cyanophenoxy)-N-[3-(diethylsulfamoyl)-4-methylphenyl]propanamide?
The IUPAC name of (2R)-2-(4-cyanophenoxy)-N-[3-(diethylsulfamoyl)-4-methylphenyl]propanamide (CID 7892595) is (2R)-2-(4-cyanophenoxy)-N-[3-(diethylsulfamoyl)-4-methylphenyl]propanamide.
What is the SMILES notation for (2R)-2-(4-cyanophenoxy)-N-[3-(diethylsulfamoyl)-4-methylphenyl]propanamide?
The canonical SMILES for (2R)-2-(4-cyanophenoxy)-N-[3-(diethylsulfamoyl)-4-methylphenyl]propanamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)ccc1C.
What is the InChIKey of (2R)-2-(4-cyanophenoxy)-N-[3-(diethylsulfamoyl)-4-methylphenyl]propanamide?
The InChIKey is LSRIDIPQSFQHBW-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-5-24(6-2)29(26,27)20-13-18(10-7-15(20)3)23-21(25)16(4)28-19-11-8-17(14-22)9-12-19/h7-13,16H,5-6H2,1-4H3,(H,23,25)/t16-/m1/s1.
What are the key properties of (2R)-2-(4-cyanophenoxy)-N-[3-(diethylsulfamoyl)-4-methylphenyl]propanamide?
(2R)-2-(4-cyanophenoxy)-N-[3-(diethylsulfamoyl)-4-methylphenyl]propanamide has a molecular weight of 415.52 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-cyanophenoxy)-N-[3-(diethylsulfamoyl)-4-methylphenyl]propanamide is sourced from PubChem (CID 7892595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).