2-(4-fluorophenoxy)ethyl 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate

C15H15ClFNO5S2 — CID 7804721

IUPAC2-(4-fluorophenoxy)ethyl 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate
SMILESCN(CC(=O)OCCOc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C15H15ClFNO5S2/c1-18(25(20,21)15-7-6-13(16)24-15)10-14(19)23-9-8-22-12-4-2-11(17)3-5-12/h2-7H,8-10H2,1H3
InChIKeyKYZTVRJZVHUBNW-UHFFFAOYSA-N
MW407.87 g/mol
LogP2.78
Rot. Bonds8

About 2-(4-fluorophenoxy)ethyl 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate

2-(4-fluorophenoxy)ethyl 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate (PubChem CID 7804721) has the molecular formula C15H15ClFNO5S2 and a molecular weight of 407.87 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)ethyl 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate.

Molecular Properties

Compound Name2-(4-fluorophenoxy)ethyl 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate
PubChem CID7804721
Molecular FormulaC15H15ClFNO5S2
Molecular Weight407.87 g/mol
Exact Mass407.01
IUPAC Name2-(4-fluorophenoxy)ethyl 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate
SMILESCN(CC(=O)OCCOc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C15H15ClFNO5S2/c1-18(25(20,21)15-7-6-13(16)24-15)10-14(19)23-9-8-22-12-4-2-11(17)3-5-12/h2-7H,8-10H2,1H3
InChIKeyKYZTVRJZVHUBNW-UHFFFAOYSA-N
XLogP2.78
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.87
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

benzyl 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate
CID 7804745
(2-chlorophenyl) 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate
CID 18227111
3-pyridin-3-ylpropyl 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate
CID 78772421
(2,4-dichlorophenyl) 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate
CID 18287790
(2-morpholin-4-yl-2-oxoethyl) 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate
CID 7804748
(2-chloro-5-methylphenyl) 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate
CID 26199574
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 38253630
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2,6-difluorophenyl)acetamide
CID 51158900
methyl 3-[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]oxynaphthalene-2-carboxylate
CID 31527570
2-[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]ethoxy]acetic acid
CID 59820139
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 38503362
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[4-(dimethylamino)phenyl]acetamide
CID 78776431

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)ethyl 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate?
The IUPAC name of 2-(4-fluorophenoxy)ethyl 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate (CID 7804721) is 2-(4-fluorophenoxy)ethyl 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate.
What is the SMILES notation for 2-(4-fluorophenoxy)ethyl 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate?
The canonical SMILES for 2-(4-fluorophenoxy)ethyl 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate is CN(CC(=O)OCCOc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 2-(4-fluorophenoxy)ethyl 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate?
The InChIKey is KYZTVRJZVHUBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO5S2/c1-18(25(20,21)15-7-6-13(16)24-15)10-14(19)23-9-8-22-12-4-2-11(17)3-5-12/h2-7H,8-10H2,1H3.
What are the key properties of 2-(4-fluorophenoxy)ethyl 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate?
2-(4-fluorophenoxy)ethyl 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate has a molecular weight of 407.87 g/mol, XLogP of 2.78, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)ethyl 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate is sourced from PubChem (CID 7804721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).