ethyl 2-[2-[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfonylamino]ethylamino]acetate

C14H18N4O4S2 — CID 21092810

IUPACethyl 2-[2-[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfonylamino]ethylamino]acetate
SMILESCCOC(=O)CNCCNS(=O)(=O)c1nnc(-c2ccccc2)s1
InChIInChI=1S/C14H18N4O4S2/c1-2-22-12(19)10-15-8-9-16-24(20,21)14-18-17-13(23-14)11-6-4-3-5-7-11/h3-7,15-16H,2,8-10H2,1H3
InChIKeySGHLMMVCFGYXCV-UHFFFAOYSA-N
MW370.46 g/mol
LogP0.64
Rot. Bonds9

About ethyl 2-[2-[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfonylamino]ethylamino]acetate

ethyl 2-[2-[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfonylamino]ethylamino]acetate (PubChem CID 21092810) has the molecular formula C14H18N4O4S2 and a molecular weight of 370.46 g/mol. Its IUPAC name is ethyl 2-[2-[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfonylamino]ethylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfonylamino]ethylamino]acetate
PubChem CID21092810
Molecular FormulaC14H18N4O4S2
Molecular Weight370.46 g/mol
Exact Mass370.08
IUPAC Nameethyl 2-[2-[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfonylamino]ethylamino]acetate
SMILESCCOC(=O)CNCCNS(=O)(=O)c1nnc(-c2ccccc2)s1
InChIInChI=1S/C14H18N4O4S2/c1-2-22-12(19)10-15-8-9-16-24(20,21)14-18-17-13(23-14)11-6-4-3-5-7-11/h3-7,15-16H,2,8-10H2,1H3
InChIKeySGHLMMVCFGYXCV-UHFFFAOYSA-N
XLogP0.64
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfonylamino]ethylamino]acetate?
The IUPAC name of ethyl 2-[2-[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfonylamino]ethylamino]acetate (CID 21092810) is ethyl 2-[2-[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfonylamino]ethylamino]acetate.
What is the SMILES notation for ethyl 2-[2-[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfonylamino]ethylamino]acetate?
The canonical SMILES for ethyl 2-[2-[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfonylamino]ethylamino]acetate is CCOC(=O)CNCCNS(=O)(=O)c1nnc(-c2ccccc2)s1.
What is the InChIKey of ethyl 2-[2-[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfonylamino]ethylamino]acetate?
The InChIKey is SGHLMMVCFGYXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4S2/c1-2-22-12(19)10-15-8-9-16-24(20,21)14-18-17-13(23-14)11-6-4-3-5-7-11/h3-7,15-16H,2,8-10H2,1H3.
What are the key properties of ethyl 2-[2-[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfonylamino]ethylamino]acetate?
ethyl 2-[2-[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfonylamino]ethylamino]acetate has a molecular weight of 370.46 g/mol, XLogP of 0.64, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfonylamino]ethylamino]acetate is sourced from PubChem (CID 21092810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).