2-(2-chlorophenyl)sulfanyl-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]propanamide

C17H25ClN2O2S — CID 55831502

IUPAC2-(2-chlorophenyl)sulfanyl-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]propanamide
SMILESCC1CN(CCNC(=O)C(C)Sc2ccccc2Cl)CC(C)O1
InChIInChI=1S/C17H25ClN2O2S/c1-12-10-20(11-13(2)22-12)9-8-19-17(21)14(3)23-16-7-5-4-6-15(16)18/h4-7,12-14H,8-11H2,1-3H3,(H,19,21)
InChIKeySCEIADNHZHLRQP-UHFFFAOYSA-N
MW356.92 g/mol
LogP3.05
Rot. Bonds6

About 2-(2-chlorophenyl)sulfanyl-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]propanamide

2-(2-chlorophenyl)sulfanyl-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]propanamide (PubChem CID 55831502) has the molecular formula C17H25ClN2O2S and a molecular weight of 356.92 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]propanamide
PubChem CID55831502
Molecular FormulaC17H25ClN2O2S
Molecular Weight356.92 g/mol
Exact Mass356.13
IUPAC Name2-(2-chlorophenyl)sulfanyl-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]propanamide
SMILESCC1CN(CCNC(=O)C(C)Sc2ccccc2Cl)CC(C)O1
InChIInChI=1S/C17H25ClN2O2S/c1-12-10-20(11-13(2)22-12)9-8-19-17(21)14(3)23-16-7-5-4-6-15(16)18/h4-7,12-14H,8-11H2,1-3H3,(H,19,21)
InChIKeySCEIADNHZHLRQP-UHFFFAOYSA-N
XLogP3.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.92
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminobutyl)-2-(2-chlorophenyl)sulfanylpropanamide
CID 119498900
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-methylpropanamide
CID 75800055
2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]aniline
CID 62575700
2-(2-chlorophenyl)sulfanyl-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 111331233
2-(2-chlorophenyl)sulfanylpropanehydrazide
CID 61059907
N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]-3-phenylprop-2-ynamide
CID 97039116
4-[[2-(2-chlorophenyl)sulfanylpropanoylamino]methyl]oxane-4-carboxylic acid
CID 120541875
1-(3-chlorophenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea
CID 42886916
1-(benzenesulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidine-4-carboxamide
CID 43044329
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]propanamide
CID 43067351
2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4,5-difluorobenzamide
CID 46447092
(2R)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 94020975

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]propanamide?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]propanamide (CID 55831502) is 2-(2-chlorophenyl)sulfanyl-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]propanamide.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]propanamide?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]propanamide is CC1CN(CCNC(=O)C(C)Sc2ccccc2Cl)CC(C)O1.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]propanamide?
The InChIKey is SCEIADNHZHLRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O2S/c1-12-10-20(11-13(2)22-12)9-8-19-17(21)14(3)23-16-7-5-4-6-15(16)18/h4-7,12-14H,8-11H2,1-3H3,(H,19,21).
What are the key properties of 2-(2-chlorophenyl)sulfanyl-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]propanamide?
2-(2-chlorophenyl)sulfanyl-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]propanamide has a molecular weight of 356.92 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]propanamide is sourced from PubChem (CID 55831502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).