3-(4-methoxyphenyl)sulfanyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide

C22H28N2O4S2 — CID 43035680

IUPAC3-(4-methoxyphenyl)sulfanyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide
SMILESCOc1ccc(SCCC(=O)Nc2ccc(S(=O)(=O)N3CCCC(C)C3)cc2)cc1
InChIInChI=1S/C22H28N2O4S2/c1-17-4-3-14-24(16-17)30(26,27)21-11-5-18(6-12-21)23-22(25)13-15-29-20-9-7-19(28-2)8-10-20/h5-12,17H,3-4,13-16H2,1-2H3,(H,23,25)
InChIKeyHVVGLAGELJQXCB-UHFFFAOYSA-N
MW448.61 g/mol
LogP4.24
Rot. Bonds8

About 3-(4-methoxyphenyl)sulfanyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide

3-(4-methoxyphenyl)sulfanyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide (PubChem CID 43035680) has the molecular formula C22H28N2O4S2 and a molecular weight of 448.61 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)sulfanyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)sulfanyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide
PubChem CID43035680
Molecular FormulaC22H28N2O4S2
Molecular Weight448.61 g/mol
Exact Mass448.15
IUPAC Name3-(4-methoxyphenyl)sulfanyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide
SMILESCOc1ccc(SCCC(=O)Nc2ccc(S(=O)(=O)N3CCCC(C)C3)cc2)cc1
InChIInChI=1S/C22H28N2O4S2/c1-17-4-3-14-24(16-17)30(26,27)21-11-5-18(6-12-21)23-22(25)13-15-29-20-9-7-19(28-2)8-10-20/h5-12,17H,3-4,13-16H2,1-2H3,(H,23,25)
InChIKeyHVVGLAGELJQXCB-UHFFFAOYSA-N
XLogP4.24
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.61
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-methoxyphenyl)sulfonylamino]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 17192773
4-methoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311372
2-(4-methoxyphenyl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 28633089
3,5-dimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311561
1-[4-[4-(4-methoxyphenoxy)butanoylamino]phenyl]sulfonylpiperidine-3-carboxylic acid
CID 42931170
N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743584
N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743581
1-(4-methoxyphenyl)-2-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methyl]guanidine;hydroiodide
CID 111059244
2-cyclohexyloxy-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 51958298
2-(4-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17312033
3-(1,3-dioxoisoindol-2-yl)-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]propanamide
CID 40786037
3-[4-(dimethylamino)phenyl]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 24555453

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)sulfanyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)sulfanyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide (CID 43035680) is 3-(4-methoxyphenyl)sulfanyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)sulfanyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)sulfanyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide is COc1ccc(SCCC(=O)Nc2ccc(S(=O)(=O)N3CCCC(C)C3)cc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)sulfanyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide?
The InChIKey is HVVGLAGELJQXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S2/c1-17-4-3-14-24(16-17)30(26,27)21-11-5-18(6-12-21)23-22(25)13-15-29-20-9-7-19(28-2)8-10-20/h5-12,17H,3-4,13-16H2,1-2H3,(H,23,25).
What are the key properties of 3-(4-methoxyphenyl)sulfanyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide?
3-(4-methoxyphenyl)sulfanyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide has a molecular weight of 448.61 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)sulfanyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide is sourced from PubChem (CID 43035680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).