ethyl (3R)-3-[(4-methylphenyl)sulfonylamino]decanoate

C19H31NO4S — CID 11372115

IUPACethyl (3R)-3-[(4-methylphenyl)sulfonylamino]decanoate
SMILESCCCCCCC[C@H](CC(=O)OCC)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H31NO4S/c1-4-6-7-8-9-10-17(15-19(21)24-5-2)20-25(22,23)18-13-11-16(3)12-14-18/h11-14,17,20H,4-10,15H2,1-3H3/t17-/m1/s1
InChIKeyMXSATVMOYROJCD-QGZVFWFLSA-N
MW369.53 g/mol
LogP3.96
Rot. Bonds12

About ethyl (3R)-3-[(4-methylphenyl)sulfonylamino]decanoate

ethyl (3R)-3-[(4-methylphenyl)sulfonylamino]decanoate (PubChem CID 11372115) has the molecular formula C19H31NO4S and a molecular weight of 369.53 g/mol. Its IUPAC name is ethyl (3R)-3-[(4-methylphenyl)sulfonylamino]decanoate.

Molecular Properties

Compound Nameethyl (3R)-3-[(4-methylphenyl)sulfonylamino]decanoate
PubChem CID11372115
Molecular FormulaC19H31NO4S
Molecular Weight369.53 g/mol
Exact Mass369.20
IUPAC Nameethyl (3R)-3-[(4-methylphenyl)sulfonylamino]decanoate
SMILESCCCCCCC[C@H](CC(=O)OCC)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H31NO4S/c1-4-6-7-8-9-10-17(15-19(21)24-5-2)20-25(22,23)18-13-11-16(3)12-14-18/h11-14,17,20H,4-10,15H2,1-3H3/t17-/m1/s1
InChIKeyMXSATVMOYROJCD-QGZVFWFLSA-N
XLogP3.96
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl (3R)-3-[(4-methylphenyl)sulfonylamino]decanoate 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

4-methyl-N-octan-3-ylbenzenesulfonamide
CID 11822147
N-(1-chlorononan-2-yl)-4-methylbenzenesulfonamide
CID 25268981
4-methyl-N-[(2R)-2-[(4-methylphenyl)sulfonylamino]octyl]benzenesulfonamide
CID 101389381
N-dec-1-en-4-yl-4-methylbenzenesulfonamide
CID 11174340
4-methyl-N-undec-1-yn-4-ylbenzenesulfonamide
CID 78142014
N-(1-aminohexan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119992961
ethyl 2,2-bis[(4-methylphenyl)sulfonylamino]acetate
CID 11133698
ethyl 3-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 4013982
N-[1-(N-ethylanilino)decan-2-yl]-4-methylbenzenesulfonamide
CID 11750792
N-(1-iodohexan-2-yl)-4-methylbenzenesulfonamide
CID 11245994
butyl (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 24670806
diethyl 2-[(4-methylphenyl)-[(4-methylphenyl)sulfonylamino]methyl]propanedioate
CID 23659117

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-[(4-methylphenyl)sulfonylamino]decanoate?
The IUPAC name of ethyl (3R)-3-[(4-methylphenyl)sulfonylamino]decanoate (CID 11372115) is ethyl (3R)-3-[(4-methylphenyl)sulfonylamino]decanoate.
What is the SMILES notation for ethyl (3R)-3-[(4-methylphenyl)sulfonylamino]decanoate?
The canonical SMILES for ethyl (3R)-3-[(4-methylphenyl)sulfonylamino]decanoate is CCCCCCC[C@H](CC(=O)OCC)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of ethyl (3R)-3-[(4-methylphenyl)sulfonylamino]decanoate?
The InChIKey is MXSATVMOYROJCD-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H31NO4S/c1-4-6-7-8-9-10-17(15-19(21)24-5-2)20-25(22,23)18-13-11-16(3)12-14-18/h11-14,17,20H,4-10,15H2,1-3H3/t17-/m1/s1.
What are the key properties of ethyl (3R)-3-[(4-methylphenyl)sulfonylamino]decanoate?
ethyl (3R)-3-[(4-methylphenyl)sulfonylamino]decanoate has a molecular weight of 369.53 g/mol, XLogP of 3.96, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-[(4-methylphenyl)sulfonylamino]decanoate is sourced from PubChem (CID 11372115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).