N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide

C17H24ClN3O6S2 — CID 5176013

IUPACN-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide
SMILESCN(CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H24ClN3O6S2/c1-20(13-4-9-28(23,24)12-13)11-17(22)19-16-10-14(2-3-15(16)18)29(25,26)21-5-7-27-8-6-21/h2-3,10,13H,4-9,11-12H2,1H3,(H,19,22)
InChIKeyWVDKWPFTQBHVFM-UHFFFAOYSA-N
MW465.98 g/mol
LogP0.42
Rot. Bonds6

About N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide

N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide (PubChem CID 5176013) has the molecular formula C17H24ClN3O6S2 and a molecular weight of 465.98 g/mol. Its IUPAC name is N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide
PubChem CID5176013
Molecular FormulaC17H24ClN3O6S2
Molecular Weight465.98 g/mol
Exact Mass465.08
IUPAC NameN-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide
SMILESCN(CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H24ClN3O6S2/c1-20(13-4-9-28(23,24)12-13)11-17(22)19-16-10-14(2-3-15(16)18)29(25,26)21-5-7-27-8-6-21/h2-3,10,13H,4-9,11-12H2,1H3,(H,19,22)
InChIKeyWVDKWPFTQBHVFM-UHFFFAOYSA-N
XLogP0.42
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.98
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide?
The IUPAC name of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide (CID 5176013) is N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide.
What is the SMILES notation for N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide?
The canonical SMILES for N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide is CN(CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide?
The InChIKey is WVDKWPFTQBHVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O6S2/c1-20(13-4-9-28(23,24)12-13)11-17(22)19-16-10-14(2-3-15(16)18)29(25,26)21-5-7-27-8-6-21/h2-3,10,13H,4-9,11-12H2,1H3,(H,19,22).
What are the key properties of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide?
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide has a molecular weight of 465.98 g/mol, XLogP of 0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide is sourced from PubChem (CID 5176013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).