2-[methyl(3-phenoxypropyl)amino]-N-(3-piperidin-1-ylsulfonylphenyl)propanamide

C24H33N3O4S — CID 55680404

IUPAC2-[methyl(3-phenoxypropyl)amino]-N-(3-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCC(C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)N(C)CCCOc1ccccc1
InChIInChI=1S/C24H33N3O4S/c1-20(26(2)15-10-18-31-22-12-5-3-6-13-22)24(28)25-21-11-9-14-23(19-21)32(29,30)27-16-7-4-8-17-27/h3,5-6,9,11-14,19-20H,4,7-8,10,15-18H2,1-2H3,(H,25,28)
InChIKeyFYRSADZDAJESDQ-UHFFFAOYSA-N
MW459.61 g/mol
LogP3.59
Rot. Bonds10

About 2-[methyl(3-phenoxypropyl)amino]-N-(3-piperidin-1-ylsulfonylphenyl)propanamide

2-[methyl(3-phenoxypropyl)amino]-N-(3-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 55680404) has the molecular formula C24H33N3O4S and a molecular weight of 459.61 g/mol. Its IUPAC name is 2-[methyl(3-phenoxypropyl)amino]-N-(3-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name2-[methyl(3-phenoxypropyl)amino]-N-(3-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID55680404
Molecular FormulaC24H33N3O4S
Molecular Weight459.61 g/mol
Exact Mass459.22
IUPAC Name2-[methyl(3-phenoxypropyl)amino]-N-(3-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCC(C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)N(C)CCCOc1ccccc1
InChIInChI=1S/C24H33N3O4S/c1-20(26(2)15-10-18-31-22-12-5-3-6-13-22)24(28)25-21-11-9-14-23(19-21)32(29,30)27-16-7-4-8-17-27/h3,5-6,9,11-14,19-20H,4,7-8,10,15-18H2,1-2H3,(H,25,28)
InChIKeyFYRSADZDAJESDQ-UHFFFAOYSA-N
XLogP3.59
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.61
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[methyl(3-phenoxypropyl)amino]-N-(3-piperidin-1-ylsulfonylphenyl)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-(azepan-1-ylsulfonyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 31213484
6-oxo-1-(2-phenoxyethyl)-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide
CID 27428687
N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide
CID 46808821
2-bromo-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 62855752
N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(2-methylphenoxy)propanamide
CID 9449724
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide
CID 4785250
N-methyl-N-(3-phenoxypropyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 38580276
3-[methyl-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]amino]propanoic acid
CID 119911319
(3R)-3-phenyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 7926305
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-4-phenoxybutanamide
CID 33297350
(2S)-2-[methyl(2-phenoxyethyl)amino]-N-(4-sulfamoylphenyl)propanamide
CID 8514636
N-(3-piperidin-1-ylsulfonylphenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 7926190

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(3-phenoxypropyl)amino]-N-(3-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of 2-[methyl(3-phenoxypropyl)amino]-N-(3-piperidin-1-ylsulfonylphenyl)propanamide (CID 55680404) is 2-[methyl(3-phenoxypropyl)amino]-N-(3-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 2-[methyl(3-phenoxypropyl)amino]-N-(3-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for 2-[methyl(3-phenoxypropyl)amino]-N-(3-piperidin-1-ylsulfonylphenyl)propanamide is CC(C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)N(C)CCCOc1ccccc1.
What is the InChIKey of 2-[methyl(3-phenoxypropyl)amino]-N-(3-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is FYRSADZDAJESDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4S/c1-20(26(2)15-10-18-31-22-12-5-3-6-13-22)24(28)25-21-11-9-14-23(19-21)32(29,30)27-16-7-4-8-17-27/h3,5-6,9,11-14,19-20H,4,7-8,10,15-18H2,1-2H3,(H,25,28).
What are the key properties of 2-[methyl(3-phenoxypropyl)amino]-N-(3-piperidin-1-ylsulfonylphenyl)propanamide?
2-[methyl(3-phenoxypropyl)amino]-N-(3-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 459.61 g/mol, XLogP of 3.59, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(3-phenoxypropyl)amino]-N-(3-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 55680404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).