3-[(2-chlorophenyl)sulfonylamino]-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]propanamide

C17H26ClN3O6S2 — CID 55658112

IUPAC3-[(2-chlorophenyl)sulfonylamino]-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]propanamide
SMILESCC1CN(S(=O)(=O)CCNC(=O)CCNS(=O)(=O)c2ccccc2Cl)CC(C)O1
InChIInChI=1S/C17H26ClN3O6S2/c1-13-11-21(12-14(2)27-13)28(23,24)10-9-19-17(22)7-8-20-29(25,26)16-6-4-3-5-15(16)18/h3-6,13-14,20H,7-12H2,1-2H3,(H,19,22)
InChIKeyBCBJOUVCTSZAFS-UHFFFAOYSA-N
MW468.00 g/mol
LogP0.56
Rot. Bonds9

About 3-[(2-chlorophenyl)sulfonylamino]-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]propanamide

3-[(2-chlorophenyl)sulfonylamino]-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]propanamide (PubChem CID 55658112) has the molecular formula C17H26ClN3O6S2 and a molecular weight of 468.00 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)sulfonylamino]-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]propanamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)sulfonylamino]-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]propanamide
PubChem CID55658112
Molecular FormulaC17H26ClN3O6S2
Molecular Weight468.00 g/mol
Exact Mass467.10
IUPAC Name3-[(2-chlorophenyl)sulfonylamino]-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]propanamide
SMILESCC1CN(S(=O)(=O)CCNC(=O)CCNS(=O)(=O)c2ccccc2Cl)CC(C)O1
InChIInChI=1S/C17H26ClN3O6S2/c1-13-11-21(12-14(2)27-13)28(23,24)10-9-19-17(22)7-8-20-29(25,26)16-6-4-3-5-15(16)18/h3-6,13-14,20H,7-12H2,1-2H3,(H,19,22)
InChIKeyBCBJOUVCTSZAFS-UHFFFAOYSA-N
XLogP0.56
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.00
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]benzamide
CID 51941813
2-(2-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]cyclopropane-1-carboxamide
CID 55657995
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(2-fluorophenyl)propanamide
CID 46433864
4-(1H-benzimidazol-2-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]butanamide
CID 46433394
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-[(2-chlorophenyl)sulfonylamino]propanamide
CID 39302121
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 51941799
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 51947693
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 55674528
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 47029158
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2-(trifluoromethylsulfonyl)aniline
CID 55680667
tert-butyl N-[2-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethylamino]-2-oxoethyl]carbamate
CID 47082029
tert-butyl N-[2-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethylamino]-2-oxoethyl]carbamate
CID 52502622

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)sulfonylamino]-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]propanamide?
The IUPAC name of 3-[(2-chlorophenyl)sulfonylamino]-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]propanamide (CID 55658112) is 3-[(2-chlorophenyl)sulfonylamino]-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]propanamide.
What is the SMILES notation for 3-[(2-chlorophenyl)sulfonylamino]-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]propanamide?
The canonical SMILES for 3-[(2-chlorophenyl)sulfonylamino]-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]propanamide is CC1CN(S(=O)(=O)CCNC(=O)CCNS(=O)(=O)c2ccccc2Cl)CC(C)O1.
What is the InChIKey of 3-[(2-chlorophenyl)sulfonylamino]-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]propanamide?
The InChIKey is BCBJOUVCTSZAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O6S2/c1-13-11-21(12-14(2)27-13)28(23,24)10-9-19-17(22)7-8-20-29(25,26)16-6-4-3-5-15(16)18/h3-6,13-14,20H,7-12H2,1-2H3,(H,19,22).
What are the key properties of 3-[(2-chlorophenyl)sulfonylamino]-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]propanamide?
3-[(2-chlorophenyl)sulfonylamino]-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]propanamide has a molecular weight of 468.00 g/mol, XLogP of 0.56, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)sulfonylamino]-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]propanamide is sourced from PubChem (CID 55658112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).