2-[2-[(2-chloro-6-phenoxyphenyl)methylamino]-2-oxoethyl]sulfanylacetate

C17H15ClNO4S- — CID 7189462

IUPAC2-[2-[(2-chloro-6-phenoxyphenyl)methylamino]-2-oxoethyl]sulfanylacetate
SMILESO=C([O-])CSCC(=O)NCc1c(Cl)cccc1Oc1ccccc1
InChIInChI=1S/C17H16ClNO4S/c18-14-7-4-8-15(23-12-5-2-1-3-6-12)13(14)9-19-16(20)10-24-11-17(21)22/h1-8H,9-11H2,(H,19,20)(H,21,22)/p-1
InChIKeyOFZXOMIGEAVZOG-UHFFFAOYSA-M
MW364.83 g/mol
LogP2.23
Rot. Bonds8

About 2-[2-[(2-chloro-6-phenoxyphenyl)methylamino]-2-oxoethyl]sulfanylacetate

2-[2-[(2-chloro-6-phenoxyphenyl)methylamino]-2-oxoethyl]sulfanylacetate (PubChem CID 7189462) has the molecular formula C17H15ClNO4S- and a molecular weight of 364.83 g/mol. Its IUPAC name is 2-[2-[(2-chloro-6-phenoxyphenyl)methylamino]-2-oxoethyl]sulfanylacetate.

Molecular Properties

Compound Name2-[2-[(2-chloro-6-phenoxyphenyl)methylamino]-2-oxoethyl]sulfanylacetate
PubChem CID7189462
Molecular FormulaC17H15ClNO4S-
Molecular Weight364.83 g/mol
Exact Mass364.04
IUPAC Name2-[2-[(2-chloro-6-phenoxyphenyl)methylamino]-2-oxoethyl]sulfanylacetate
SMILESO=C([O-])CSCC(=O)NCc1c(Cl)cccc1Oc1ccccc1
InChIInChI=1S/C17H16ClNO4S/c18-14-7-4-8-15(23-12-5-2-1-3-6-12)13(14)9-19-16(20)10-24-11-17(21)22/h1-8H,9-11H2,(H,19,20)(H,21,22)/p-1
InChIKeyOFZXOMIGEAVZOG-UHFFFAOYSA-M
XLogP2.23
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-[(2-chloro-6-phenoxyphenyl)methylamino]-2-oxoethyl]sulfanylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-chloro-6-(4-methoxyphenoxy)phenyl]methylamino]-4-oxobutanoate
CID 7189507
1-[(2-chloro-6-phenoxyphenyl)methyl]-3-phenylurea
CID 2811720
2-[2-(benzylamino)-2-oxoethyl]sulfanylacetate
CID 7020290
5-[[2-chloro-6-(4-methoxyphenoxy)phenyl]methylamino]-5-oxopentanoic acid
CID 2812331
(2-chloro-6-phenoxyphenyl)methanamine
CID 2777206
N-[(2-chloro-6-phenoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63552374
N-[(2-chloro-6-methoxyphenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 103292723
sodium 2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanylacetate
CID 155944067
(2,6-dichlorophenyl)methylcarbamic acid
CID 77230594
2-(2-anilino-2-oxoethyl)sulfanylacetate
CID 5216476
N-[(2-chloro-6-phenoxyphenyl)methyl]-1-methylimidazole-4-sulfonamide
CID 2811920
1-[[2-chloro-6-(4-methoxyphenoxy)phenyl]methyl]-3-(4-chlorophenyl)urea
CID 2806109

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chloro-6-phenoxyphenyl)methylamino]-2-oxoethyl]sulfanylacetate?
The IUPAC name of 2-[2-[(2-chloro-6-phenoxyphenyl)methylamino]-2-oxoethyl]sulfanylacetate (CID 7189462) is 2-[2-[(2-chloro-6-phenoxyphenyl)methylamino]-2-oxoethyl]sulfanylacetate.
What is the SMILES notation for 2-[2-[(2-chloro-6-phenoxyphenyl)methylamino]-2-oxoethyl]sulfanylacetate?
The canonical SMILES for 2-[2-[(2-chloro-6-phenoxyphenyl)methylamino]-2-oxoethyl]sulfanylacetate is O=C([O-])CSCC(=O)NCc1c(Cl)cccc1Oc1ccccc1.
What is the InChIKey of 2-[2-[(2-chloro-6-phenoxyphenyl)methylamino]-2-oxoethyl]sulfanylacetate?
The InChIKey is OFZXOMIGEAVZOG-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H16ClNO4S/c18-14-7-4-8-15(23-12-5-2-1-3-6-12)13(14)9-19-16(20)10-24-11-17(21)22/h1-8H,9-11H2,(H,19,20)(H,21,22)/p-1.
What are the key properties of 2-[2-[(2-chloro-6-phenoxyphenyl)methylamino]-2-oxoethyl]sulfanylacetate?
2-[2-[(2-chloro-6-phenoxyphenyl)methylamino]-2-oxoethyl]sulfanylacetate has a molecular weight of 364.83 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chloro-6-phenoxyphenyl)methylamino]-2-oxoethyl]sulfanylacetate is sourced from PubChem (CID 7189462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).