(2R)-N-(3-cyanophenyl)-2-[3-(diethylsulfamoyl)-4-methylanilino]propanamide

C21H26N4O3S — CID 25408581

IUPAC(2R)-N-(3-cyanophenyl)-2-[3-(diethylsulfamoyl)-4-methylanilino]propanamide
SMILESCCN(CC)S(=O)(=O)c1cc(N[C@H](C)C(=O)Nc2cccc(C#N)c2)ccc1C
InChIInChI=1S/C21H26N4O3S/c1-5-25(6-2)29(27,28)20-13-19(11-10-15(20)3)23-16(4)21(26)24-18-9-7-8-17(12-18)14-22/h7-13,16,23H,5-6H2,1-4H3,(H,24,26)/t16-/m1/s1
InChIKeyJKUMALOQSFLIKA-MRXNPFEDSA-N
MW414.53 g/mol
LogP3.34
Rot. Bonds8

About (2R)-N-(3-cyanophenyl)-2-[3-(diethylsulfamoyl)-4-methylanilino]propanamide

(2R)-N-(3-cyanophenyl)-2-[3-(diethylsulfamoyl)-4-methylanilino]propanamide (PubChem CID 25408581) has the molecular formula C21H26N4O3S and a molecular weight of 414.53 g/mol. Its IUPAC name is (2R)-N-(3-cyanophenyl)-2-[3-(diethylsulfamoyl)-4-methylanilino]propanamide.

Molecular Properties

Compound Name(2R)-N-(3-cyanophenyl)-2-[3-(diethylsulfamoyl)-4-methylanilino]propanamide
PubChem CID25408581
Molecular FormulaC21H26N4O3S
Molecular Weight414.53 g/mol
Exact Mass414.17
IUPAC Name(2R)-N-(3-cyanophenyl)-2-[3-(diethylsulfamoyl)-4-methylanilino]propanamide
SMILESCCN(CC)S(=O)(=O)c1cc(N[C@H](C)C(=O)Nc2cccc(C#N)c2)ccc1C
InChIInChI=1S/C21H26N4O3S/c1-5-25(6-2)29(27,28)20-13-19(11-10-15(20)3)23-16(4)21(26)24-18-9-7-8-17(12-18)14-22/h7-13,16,23H,5-6H2,1-4H3,(H,24,26)/t16-/m1/s1
InChIKeyJKUMALOQSFLIKA-MRXNPFEDSA-N
XLogP3.34
TPSA102.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-N-(3-cyanophenyl)-2-[3-(diethylsulfamoyl)-4-methylanilino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-N-(3-cyanophenyl)propanamide
CID 25392666
(2R)-2-(3-chloro-4-methylanilino)-N-(3-cyanophenyl)propanamide
CID 7509535
(2R)-2-(4-cyanophenoxy)-N-[3-(diethylsulfamoyl)-4-methylphenyl]propanamide
CID 7892595
N-(3-cyanophenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide
CID 100781224
(2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 8772028
2-(3-cyanoanilino)-N-propylpropanamide
CID 43087365
[(2S)-1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl]-[2-(methylamino)-2-oxoethyl]azanium
CID 8772027
(2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-pyrrolidin-1-ium-1-ylpropanamide
CID 8901543
(2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide
CID 8899041
N-(3-cyanophenyl)-2-(diethylamino)propanamide
CID 43176773
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(3-fluorophenoxy)propanamide
CID 112781624
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-cyanobenzamide
CID 9101511

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-cyanophenyl)-2-[3-(diethylsulfamoyl)-4-methylanilino]propanamide?
The IUPAC name of (2R)-N-(3-cyanophenyl)-2-[3-(diethylsulfamoyl)-4-methylanilino]propanamide (CID 25408581) is (2R)-N-(3-cyanophenyl)-2-[3-(diethylsulfamoyl)-4-methylanilino]propanamide.
What is the SMILES notation for (2R)-N-(3-cyanophenyl)-2-[3-(diethylsulfamoyl)-4-methylanilino]propanamide?
The canonical SMILES for (2R)-N-(3-cyanophenyl)-2-[3-(diethylsulfamoyl)-4-methylanilino]propanamide is CCN(CC)S(=O)(=O)c1cc(N[C@H](C)C(=O)Nc2cccc(C#N)c2)ccc1C.
What is the InChIKey of (2R)-N-(3-cyanophenyl)-2-[3-(diethylsulfamoyl)-4-methylanilino]propanamide?
The InChIKey is JKUMALOQSFLIKA-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H26N4O3S/c1-5-25(6-2)29(27,28)20-13-19(11-10-15(20)3)23-16(4)21(26)24-18-9-7-8-17(12-18)14-22/h7-13,16,23H,5-6H2,1-4H3,(H,24,26)/t16-/m1/s1.
What are the key properties of (2R)-N-(3-cyanophenyl)-2-[3-(diethylsulfamoyl)-4-methylanilino]propanamide?
(2R)-N-(3-cyanophenyl)-2-[3-(diethylsulfamoyl)-4-methylanilino]propanamide has a molecular weight of 414.53 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-cyanophenyl)-2-[3-(diethylsulfamoyl)-4-methylanilino]propanamide is sourced from PubChem (CID 25408581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).