[(2R)-2-[[2-[(2-cyanophenyl)sulfonylamino]acetyl]amino]-2-phenylethyl]-dimethylazanium

C19H23N4O3S+ — CID 8937621

IUPAC[(2R)-2-[[2-[(2-cyanophenyl)sulfonylamino]acetyl]amino]-2-phenylethyl]-dimethylazanium
SMILESC[NH+](C)C[C@H](NC(=O)CNS(=O)(=O)c1ccccc1C#N)c1ccccc1
InChIInChI=1S/C19H22N4O3S/c1-23(2)14-17(15-8-4-3-5-9-15)22-19(24)13-21-27(25,26)18-11-7-6-10-16(18)12-20/h3-11,17,21H,13-14H2,1-2H3,(H,22,24)/p+1/t17-/m0/s1
InChIKeyIAFBRYDUQVVPKX-KRWDZBQOSA-O
MW387.49 g/mol
LogP-0.16
Rot. Bonds8

About [(2R)-2-[[2-[(2-cyanophenyl)sulfonylamino]acetyl]amino]-2-phenylethyl]-dimethylazanium

[(2R)-2-[[2-[(2-cyanophenyl)sulfonylamino]acetyl]amino]-2-phenylethyl]-dimethylazanium (PubChem CID 8937621) has the molecular formula C19H23N4O3S+ and a molecular weight of 387.49 g/mol. Its IUPAC name is [(2R)-2-[[2-[(2-cyanophenyl)sulfonylamino]acetyl]amino]-2-phenylethyl]-dimethylazanium.

Molecular Properties

Compound Name[(2R)-2-[[2-[(2-cyanophenyl)sulfonylamino]acetyl]amino]-2-phenylethyl]-dimethylazanium
PubChem CID8937621
Molecular FormulaC19H23N4O3S+
Molecular Weight387.49 g/mol
Exact Mass387.15
IUPAC Name[(2R)-2-[[2-[(2-cyanophenyl)sulfonylamino]acetyl]amino]-2-phenylethyl]-dimethylazanium
SMILESC[NH+](C)C[C@H](NC(=O)CNS(=O)(=O)c1ccccc1C#N)c1ccccc1
InChIInChI=1S/C19H22N4O3S/c1-23(2)14-17(15-8-4-3-5-9-15)22-19(24)13-21-27(25,26)18-11-7-6-10-16(18)12-20/h3-11,17,21H,13-14H2,1-2H3,(H,22,24)/p+1/t17-/m0/s1
InChIKeyIAFBRYDUQVVPKX-KRWDZBQOSA-O
XLogP-0.16
TPSA103.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [(2R)-2-[[2-[(2-cyanophenyl)sulfonylamino]acetyl]amino]-2-phenylethyl]-dimethylazanium 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

2-[(2-cyanophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 9410013
N-benzyl-2-[(2-cyanophenyl)sulfonylamino]acetamide
CID 8713182
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate
CID 7653300
2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 110712533
N-(2-chloroprop-2-enyl)-2-cyanobenzenesulfonamide
CID 115753551
[(2S)-2-[(3-cyanobenzoyl)amino]-2-phenylethyl]-dimethylazanium
CID 8937133
2-[(2-cyanophenyl)sulfonylamino]-N-piperidin-1-ylacetamide
CID 9271774
2-[(2-cyanophenyl)sulfonylamino]-N-(4-propylphenyl)acetamide
CID 9293998
[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-[(2-cyanophenyl)sulfonylamino]acetate
CID 9458294
2-[(2-cyanophenyl)sulfonylamino]-N-(4-ethoxyphenyl)acetamide
CID 9410662
[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate
CID 26918184
dimethyl-[(2R)-2-[[2-(2-methylphenyl)sulfanylacetyl]amino]-2-phenylethyl]azanium
CID 8937080

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[[2-[(2-cyanophenyl)sulfonylamino]acetyl]amino]-2-phenylethyl]-dimethylazanium?
The IUPAC name of [(2R)-2-[[2-[(2-cyanophenyl)sulfonylamino]acetyl]amino]-2-phenylethyl]-dimethylazanium (CID 8937621) is [(2R)-2-[[2-[(2-cyanophenyl)sulfonylamino]acetyl]amino]-2-phenylethyl]-dimethylazanium.
What is the SMILES notation for [(2R)-2-[[2-[(2-cyanophenyl)sulfonylamino]acetyl]amino]-2-phenylethyl]-dimethylazanium?
The canonical SMILES for [(2R)-2-[[2-[(2-cyanophenyl)sulfonylamino]acetyl]amino]-2-phenylethyl]-dimethylazanium is C[NH+](C)C[C@H](NC(=O)CNS(=O)(=O)c1ccccc1C#N)c1ccccc1.
What is the InChIKey of [(2R)-2-[[2-[(2-cyanophenyl)sulfonylamino]acetyl]amino]-2-phenylethyl]-dimethylazanium?
The InChIKey is IAFBRYDUQVVPKX-KRWDZBQOSA-O. The full InChI is InChI=1S/C19H22N4O3S/c1-23(2)14-17(15-8-4-3-5-9-15)22-19(24)13-21-27(25,26)18-11-7-6-10-16(18)12-20/h3-11,17,21H,13-14H2,1-2H3,(H,22,24)/p+1/t17-/m0/s1.
What are the key properties of [(2R)-2-[[2-[(2-cyanophenyl)sulfonylamino]acetyl]amino]-2-phenylethyl]-dimethylazanium?
[(2R)-2-[[2-[(2-cyanophenyl)sulfonylamino]acetyl]amino]-2-phenylethyl]-dimethylazanium has a molecular weight of 387.49 g/mol, XLogP of -0.16, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[[2-[(2-cyanophenyl)sulfonylamino]acetyl]amino]-2-phenylethyl]-dimethylazanium is sourced from PubChem (CID 8937621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).