methyl 2-[[3-[1-(ethylamino)propyl]phenyl]sulfonylamino]acetate

C14H22N2O4S — CID 60871696

IUPACmethyl 2-[[3-[1-(ethylamino)propyl]phenyl]sulfonylamino]acetate
SMILESCCNC(CC)c1cccc(S(=O)(=O)NCC(=O)OC)c1
InChIInChI=1S/C14H22N2O4S/c1-4-13(15-5-2)11-7-6-8-12(9-11)21(18,19)16-10-14(17)20-3/h6-9,13,15-16H,4-5,10H2,1-3H3
InChIKeyRWRAFPPEVAHWTA-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.20
Rot. Bonds8

About methyl 2-[[3-[1-(ethylamino)propyl]phenyl]sulfonylamino]acetate

methyl 2-[[3-[1-(ethylamino)propyl]phenyl]sulfonylamino]acetate (PubChem CID 60871696) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is methyl 2-[[3-[1-(ethylamino)propyl]phenyl]sulfonylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[3-[1-(ethylamino)propyl]phenyl]sulfonylamino]acetate
PubChem CID60871696
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Namemethyl 2-[[3-[1-(ethylamino)propyl]phenyl]sulfonylamino]acetate
SMILESCCNC(CC)c1cccc(S(=O)(=O)NCC(=O)OC)c1
InChIInChI=1S/C14H22N2O4S/c1-4-13(15-5-2)11-7-6-8-12(9-11)21(18,19)16-10-14(17)20-3/h6-9,13,15-16H,4-5,10H2,1-3H3
InChIKeyRWRAFPPEVAHWTA-UHFFFAOYSA-N
XLogP1.20
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-[1-(ethylamino)propyl]benzenesulfonamide
CID 60872842
2-[[3-[1-(methylamino)propyl]phenyl]sulfonylamino]acetamide
CID 60873598
N,N-diethyl-3-[1-(ethylamino)propyl]benzenesulfonamide
CID 60873037
3-[1-(methylamino)propyl]-N-propylbenzenesulfonamide
CID 60872255
3-[1-(ethylamino)propyl]-N-(1H-imidazol-2-yl)benzenesulfonamide
CID 63563188
2-[[3-(1-aminopropyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide
CID 60872861
methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 3747735
ethyl 2-[(3-hydroxyphenyl)sulfonylamino]acetate
CID 81258635
N-ethyl-1-(3-morpholin-4-ylsulfonylphenyl)propan-1-amine
CID 60872840
N-[(2R)-2-(ethylamino)propyl]-3-propan-2-ylbenzenesulfonamide;hydrochloride
CID 120664627
N-ethyl-3-methyl-1-(3-methylsulfonylphenyl)pentan-1-amine
CID 115846387
methyl 2-[[4-(methylsulfamoyl)phenyl]sulfonylamino]acetate
CID 43423382

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-[1-(ethylamino)propyl]phenyl]sulfonylamino]acetate?
The IUPAC name of methyl 2-[[3-[1-(ethylamino)propyl]phenyl]sulfonylamino]acetate (CID 60871696) is methyl 2-[[3-[1-(ethylamino)propyl]phenyl]sulfonylamino]acetate.
What is the SMILES notation for methyl 2-[[3-[1-(ethylamino)propyl]phenyl]sulfonylamino]acetate?
The canonical SMILES for methyl 2-[[3-[1-(ethylamino)propyl]phenyl]sulfonylamino]acetate is CCNC(CC)c1cccc(S(=O)(=O)NCC(=O)OC)c1.
What is the InChIKey of methyl 2-[[3-[1-(ethylamino)propyl]phenyl]sulfonylamino]acetate?
The InChIKey is RWRAFPPEVAHWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-4-13(15-5-2)11-7-6-8-12(9-11)21(18,19)16-10-14(17)20-3/h6-9,13,15-16H,4-5,10H2,1-3H3.
What are the key properties of methyl 2-[[3-[1-(ethylamino)propyl]phenyl]sulfonylamino]acetate?
methyl 2-[[3-[1-(ethylamino)propyl]phenyl]sulfonylamino]acetate has a molecular weight of 314.41 g/mol, XLogP of 1.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-[1-(ethylamino)propyl]phenyl]sulfonylamino]acetate is sourced from PubChem (CID 60871696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).