3-(4-morpholin-4-ylsulfonylphenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide

C22H33N3O5S2 — CID 55658582

IUPAC3-(4-morpholin-4-ylsulfonylphenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCC1(N2CCOCC2)CCSC1
InChIInChI=1S/C22H33N3O5S2/c26-21(23-17-22(7-16-31-18-22)24-8-12-29-13-9-24)6-3-19-1-4-20(5-2-19)32(27,28)25-10-14-30-15-11-25/h1-2,4-5H,3,6-18H2,(H,23,26)
InChIKeySLXMMRGEJQUBIK-UHFFFAOYSA-N
MW483.66 g/mol
LogP0.96
Rot. Bonds8

About 3-(4-morpholin-4-ylsulfonylphenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide

3-(4-morpholin-4-ylsulfonylphenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide (PubChem CID 55658582) has the molecular formula C22H33N3O5S2 and a molecular weight of 483.66 g/mol. Its IUPAC name is 3-(4-morpholin-4-ylsulfonylphenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-morpholin-4-ylsulfonylphenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide
PubChem CID55658582
Molecular FormulaC22H33N3O5S2
Molecular Weight483.66 g/mol
Exact Mass483.19
IUPAC Name3-(4-morpholin-4-ylsulfonylphenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCC1(N2CCOCC2)CCSC1
InChIInChI=1S/C22H33N3O5S2/c26-21(23-17-22(7-16-31-18-22)24-8-12-29-13-9-24)6-3-19-1-4-20(5-2-19)32(27,28)25-10-14-30-15-11-25/h1-2,4-5H,3,6-18H2,(H,23,26)
InChIKeySLXMMRGEJQUBIK-UHFFFAOYSA-N
XLogP0.96
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.66
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
N-[[1-(3-methylphenyl)cyclohexyl]methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55802503
2-(2-hydroxyphenyl)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide
CID 124727496
3-[4-(diethylsulfamoyl)phenyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 31328580
N-(cyclohexylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 24678012
N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-phenothiazin-10-ylpropanamide
CID 55658366
3-(4-methylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 19061853
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-phenylpropanamide
CID 18150652
N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 1164401
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 39966777
2-benzhydryloxy-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide
CID 39154623
2-benzhydryloxy-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide
CID 39154620

Frequently Asked Questions

What is the IUPAC name of 3-(4-morpholin-4-ylsulfonylphenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide?
The IUPAC name of 3-(4-morpholin-4-ylsulfonylphenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide (CID 55658582) is 3-(4-morpholin-4-ylsulfonylphenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(4-morpholin-4-ylsulfonylphenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide?
The canonical SMILES for 3-(4-morpholin-4-ylsulfonylphenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide is O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCC1(N2CCOCC2)CCSC1.
What is the InChIKey of 3-(4-morpholin-4-ylsulfonylphenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide?
The InChIKey is SLXMMRGEJQUBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O5S2/c26-21(23-17-22(7-16-31-18-22)24-8-12-29-13-9-24)6-3-19-1-4-20(5-2-19)32(27,28)25-10-14-30-15-11-25/h1-2,4-5H,3,6-18H2,(H,23,26).
What are the key properties of 3-(4-morpholin-4-ylsulfonylphenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide?
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide has a molecular weight of 483.66 g/mol, XLogP of 0.96, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-morpholin-4-ylsulfonylphenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide is sourced from PubChem (CID 55658582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).