methyl 3-[ethyl-(4-propylphenyl)sulfonylamino]propanoate

C15H23NO4S — CID 61009529

IUPACmethyl 3-[ethyl-(4-propylphenyl)sulfonylamino]propanoate
SMILESCCCc1ccc(S(=O)(=O)N(CC)CCC(=O)OC)cc1
InChIInChI=1S/C15H23NO4S/c1-4-6-13-7-9-14(10-8-13)21(18,19)16(5-2)12-11-15(17)20-3/h7-10H,4-6,11-12H2,1-3H3
InChIKeyYOYZNRCGVSDQKA-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.21
Rot. Bonds8

About methyl 3-[ethyl-(4-propylphenyl)sulfonylamino]propanoate

methyl 3-[ethyl-(4-propylphenyl)sulfonylamino]propanoate (PubChem CID 61009529) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is methyl 3-[ethyl-(4-propylphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl-(4-propylphenyl)sulfonylamino]propanoate
PubChem CID61009529
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Namemethyl 3-[ethyl-(4-propylphenyl)sulfonylamino]propanoate
SMILESCCCc1ccc(S(=O)(=O)N(CC)CCC(=O)OC)cc1
InChIInChI=1S/C15H23NO4S/c1-4-6-13-7-9-14(10-8-13)21(18,19)16(5-2)12-11-15(17)20-3/h7-10H,4-6,11-12H2,1-3H3
InChIKeyYOYZNRCGVSDQKA-UHFFFAOYSA-N
XLogP2.21
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(4-ethoxyphenyl)sulfonyl-ethylamino]propanoate
CID 61011338
3-[ethyl-(4-hexylphenyl)sulfonylamino]propanoic acid
CID 84557829
N-(3-aminopropyl)-N-ethyl-4-propylbenzenesulfonamide
CID 61071536
methyl 3-[(4-aminophenyl)sulfonyl-[2-(4-methoxyphenyl)ethyl]amino]propanoate
CID 18678924
N-hydroxy-3-[pentyl-(4-propylphenyl)sulfonylamino]propanamide
CID 142683345
methyl 3-[ethyl(pyridin-3-ylsulfonyl)amino]propanoate
CID 54899558
methyl 3-[ethyl-(3-nitrophenyl)sulfonylamino]propanoate
CID 61010794
ethyl 3-[(4-hexylphenyl)sulfonyl-propylamino]propanoate
CID 84557777
N-ethyl-4-(methylaminomethyl)-N-propylbenzenesulfonamide
CID 60823564
N-(2-aminoethyl)-N,4-dipropylbenzenesulfonamide
CID 61350112
methyl 3-[ethyl-(2-fluorophenyl)sulfonylamino]propanoate
CID 51891975
[2-oxo-2-(4-propylphenyl)ethyl] 4-(diethylsulfamoyl)benzoate
CID 55314582

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl-(4-propylphenyl)sulfonylamino]propanoate?
The IUPAC name of methyl 3-[ethyl-(4-propylphenyl)sulfonylamino]propanoate (CID 61009529) is methyl 3-[ethyl-(4-propylphenyl)sulfonylamino]propanoate.
What is the SMILES notation for methyl 3-[ethyl-(4-propylphenyl)sulfonylamino]propanoate?
The canonical SMILES for methyl 3-[ethyl-(4-propylphenyl)sulfonylamino]propanoate is CCCc1ccc(S(=O)(=O)N(CC)CCC(=O)OC)cc1.
What is the InChIKey of methyl 3-[ethyl-(4-propylphenyl)sulfonylamino]propanoate?
The InChIKey is YOYZNRCGVSDQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-4-6-13-7-9-14(10-8-13)21(18,19)16(5-2)12-11-15(17)20-3/h7-10H,4-6,11-12H2,1-3H3.
What are the key properties of methyl 3-[ethyl-(4-propylphenyl)sulfonylamino]propanoate?
methyl 3-[ethyl-(4-propylphenyl)sulfonylamino]propanoate has a molecular weight of 313.42 g/mol, XLogP of 2.21, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl-(4-propylphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 61009529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).