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

C22H29N3O6S2 — CID 17192773

IUPAC3-[(4-methoxyphenyl)sulfonylamino]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide
SMILESCOc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(S(=O)(=O)N3CCCC(C)C3)cc2)cc1
InChIInChI=1S/C22H29N3O6S2/c1-17-4-3-15-25(16-17)33(29,30)21-9-5-18(6-10-21)24-22(26)13-14-23-32(27,28)20-11-7-19(31-2)8-12-20/h5-12,17,23H,3-4,13-16H2,1-2H3,(H,24,26)
InChIKeyFEKGPCCMXFYTBB-UHFFFAOYSA-N
MW495.62 g/mol
LogP2.42
Rot. Bonds9

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

3-[(4-methoxyphenyl)sulfonylamino]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide (PubChem CID 17192773) has the molecular formula C22H29N3O6S2 and a molecular weight of 495.62 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)sulfonylamino]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)sulfonylamino]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide
PubChem CID17192773
Molecular FormulaC22H29N3O6S2
Molecular Weight495.62 g/mol
Exact Mass495.15
IUPAC Name3-[(4-methoxyphenyl)sulfonylamino]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide
SMILESCOc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(S(=O)(=O)N3CCCC(C)C3)cc2)cc1
InChIInChI=1S/C22H29N3O6S2/c1-17-4-3-15-25(16-17)33(29,30)21-9-5-18(6-10-21)24-22(26)13-14-23-32(27,28)20-11-7-19(31-2)8-12-20/h5-12,17,23H,3-4,13-16H2,1-2H3,(H,24,26)
InChIKeyFEKGPCCMXFYTBB-UHFFFAOYSA-N
XLogP2.42
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.62
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(4-methoxyphenyl)sulfonylamino]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-methoxyphenyl)sulfanyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 43035680
4-methoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311372
3,5-dimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311561
N-(4-acetamidophenyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192669
2-(4-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17312033
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-(4-fluorophenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17311952
3-[(4-fluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 17192102
1-[4-[4-(4-methoxyphenoxy)butanoylamino]phenyl]sulfonylpiperidine-3-carboxylic acid
CID 42931170
2-cyclohexyloxy-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 51958298

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)sulfonylamino]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide?
The IUPAC name of 3-[(4-methoxyphenyl)sulfonylamino]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide (CID 17192773) is 3-[(4-methoxyphenyl)sulfonylamino]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide.
What is the SMILES notation for 3-[(4-methoxyphenyl)sulfonylamino]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide?
The canonical SMILES for 3-[(4-methoxyphenyl)sulfonylamino]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide is COc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(S(=O)(=O)N3CCCC(C)C3)cc2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)sulfonylamino]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide?
The InChIKey is FEKGPCCMXFYTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O6S2/c1-17-4-3-15-25(16-17)33(29,30)21-9-5-18(6-10-21)24-22(26)13-14-23-32(27,28)20-11-7-19(31-2)8-12-20/h5-12,17,23H,3-4,13-16H2,1-2H3,(H,24,26).
What are the key properties of 3-[(4-methoxyphenyl)sulfonylamino]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide?
3-[(4-methoxyphenyl)sulfonylamino]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide has a molecular weight of 495.62 g/mol, XLogP of 2.42, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)sulfonylamino]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide is sourced from PubChem (CID 17192773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).