(2-cyanophenyl)methyl 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate

C19H20N2O4S — CID 7569153

IUPAC(2-cyanophenyl)methyl 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate
SMILESCc1ccc(S(=O)(=O)NCCC(=O)OCc2ccccc2C#N)cc1C
InChIInChI=1S/C19H20N2O4S/c1-14-7-8-18(11-15(14)2)26(23,24)21-10-9-19(22)25-13-17-6-4-3-5-16(17)12-20/h3-8,11,21H,9-10,13H2,1-2H3
InChIKeyNCNVCZMMRSJLQP-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.59
Rot. Bonds7

About (2-cyanophenyl)methyl 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate

(2-cyanophenyl)methyl 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate (PubChem CID 7569153) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is (2-cyanophenyl)methyl 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name(2-cyanophenyl)methyl 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate
PubChem CID7569153
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name(2-cyanophenyl)methyl 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate
SMILESCc1ccc(S(=O)(=O)NCCC(=O)OCc2ccccc2C#N)cc1C
InChIInChI=1S/C19H20N2O4S/c1-14-7-8-18(11-15(14)2)26(23,24)21-10-9-19(22)25-13-17-6-4-3-5-16(17)12-20/h3-8,11,21H,9-10,13H2,1-2H3
InChIKeyNCNVCZMMRSJLQP-UHFFFAOYSA-N
XLogP2.59
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-cyanophenyl)methyl 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate 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-cyanophenyl)methyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate
CID 8625973
(5-acetyl-2-methoxyphenyl)methyl 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate
CID 24978644
(2,6-dichlorophenyl)methyl 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate
CID 7234432
2-[(3,4-dimethylphenyl)sulfonylmethyl]benzonitrile
CID 64692198
(2-chlorophenyl)methyl 3-[(3,4-difluorophenyl)sulfonylamino]propanoate
CID 33147731
(2-fluorophenyl)methyl 3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoate
CID 7806814
(1-cyanoindolizin-2-yl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 16616466
N-[3-[2-[2-(4-cyanophenoxy)acetyl]hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide
CID 24635797
cyanomethyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414466
(5-acetyl-2-methoxyphenyl)methyl 3-(benzenesulfonamido)propanoate
CID 7909301
3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 9368930
(4,5-dimethoxy-2-methylphenyl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7234559

Frequently Asked Questions

What is the IUPAC name of (2-cyanophenyl)methyl 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate?
The IUPAC name of (2-cyanophenyl)methyl 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate (CID 7569153) is (2-cyanophenyl)methyl 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate.
What is the SMILES notation for (2-cyanophenyl)methyl 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate?
The canonical SMILES for (2-cyanophenyl)methyl 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate is Cc1ccc(S(=O)(=O)NCCC(=O)OCc2ccccc2C#N)cc1C.
What is the InChIKey of (2-cyanophenyl)methyl 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate?
The InChIKey is NCNVCZMMRSJLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-14-7-8-18(11-15(14)2)26(23,24)21-10-9-19(22)25-13-17-6-4-3-5-16(17)12-20/h3-8,11,21H,9-10,13H2,1-2H3.
What are the key properties of (2-cyanophenyl)methyl 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate?
(2-cyanophenyl)methyl 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate has a molecular weight of 372.45 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyanophenyl)methyl 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 7569153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).