[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate

C15H15ClN2O5S2 — CID 43065279

IUPAC[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate
SMILESO=C(COC(=O)CNS(=O)(=O)c1cccs1)NCc1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2O5S2/c16-12-5-3-11(4-6-12)8-17-13(19)10-23-14(20)9-18-25(21,22)15-2-1-7-24-15/h1-7,18H,8-10H2,(H,17,19)
InChIKeyOEHHWTKIGYTLRI-UHFFFAOYSA-N
MW402.88 g/mol
LogP1.54
Rot. Bonds8

About [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate

[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate (PubChem CID 43065279) has the molecular formula C15H15ClN2O5S2 and a molecular weight of 402.88 g/mol. Its IUPAC name is [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate.

Molecular Properties

Compound Name[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate
PubChem CID43065279
Molecular FormulaC15H15ClN2O5S2
Molecular Weight402.88 g/mol
Exact Mass402.01
IUPAC Name[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate
SMILESO=C(COC(=O)CNS(=O)(=O)c1cccs1)NCc1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2O5S2/c16-12-5-3-11(4-6-12)8-17-13(19)10-23-14(20)9-18-25(21,22)15-2-1-7-24-15/h1-7,18H,8-10H2,(H,17,19)
InChIKeyOEHHWTKIGYTLRI-UHFFFAOYSA-N
XLogP1.54
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-(thiophen-2-ylsulfonylamino)propanamide
CID 15997579
N-[2-(4-chlorophenyl)ethyl]-2-(thiophen-2-ylsulfonylamino)acetamide
CID 22422194
N-(pyridin-4-ylmethyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 112993206
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2596226
[2-(benzylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2080167
[2-(benzylamino)-2-oxoethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 4781337
N-[(4-pyrazol-1-ylphenyl)methyl]-2-(thiophen-2-ylsulfonylamino)acetamide
CID 51122550
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 8505093
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7899204
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 35650171
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate
CID 2620126
N-[(4-chlorophenyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55786642

Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate?
The IUPAC name of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate (CID 43065279) is [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate.
What is the SMILES notation for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate?
The canonical SMILES for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate is O=C(COC(=O)CNS(=O)(=O)c1cccs1)NCc1ccc(Cl)cc1.
What is the InChIKey of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate?
The InChIKey is OEHHWTKIGYTLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O5S2/c16-12-5-3-11(4-6-12)8-17-13(19)10-23-14(20)9-18-25(21,22)15-2-1-7-24-15/h1-7,18H,8-10H2,(H,17,19).
What are the key properties of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate?
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate has a molecular weight of 402.88 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate is sourced from PubChem (CID 43065279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).