3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]propanamide

C21H35N3O4S — CID 125060384

IUPAC3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]propanamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCCCN1CCC[C@H](C)C1
InChIInChI=1S/C21H35N3O4S/c1-17-7-5-13-24(16-17)14-6-12-22-21(25)11-8-18-15-19(9-10-20(18)28-4)29(26,27)23(2)3/h9-10,15,17H,5-8,11-14,16H2,1-4H3,(H,22,25)/t17-/m0/s1
InChIKeyODUZNMJLTDCFIH-KRWDZBQOSA-N
MW425.60 g/mol
LogP2.12
Rot. Bonds10

About 3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]propanamide

3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]propanamide (PubChem CID 125060384) has the molecular formula C21H35N3O4S and a molecular weight of 425.60 g/mol. Its IUPAC name is 3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]propanamide.

Molecular Properties

Compound Name3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]propanamide
PubChem CID125060384
Molecular FormulaC21H35N3O4S
Molecular Weight425.60 g/mol
Exact Mass425.23
IUPAC Name3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]propanamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCCCN1CCC[C@H](C)C1
InChIInChI=1S/C21H35N3O4S/c1-17-7-5-13-24(16-17)14-6-12-22-21(25)11-8-18-15-19(9-10-20(18)28-4)29(26,27)23(2)3/h9-10,15,17H,5-8,11-14,16H2,1-4H3,(H,22,25)/t17-/m0/s1
InChIKeyODUZNMJLTDCFIH-KRWDZBQOSA-N
XLogP2.12
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.60
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]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-(dimethylsulfamoyl)-4-methoxy-N-[4-(3-methylpiperidin-1-yl)butyl]benzamide
CID 55717312
3-(3,4-dimethylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide
CID 133199627
5-(dimethylsulfamoyl)-1-ethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]indole-2-carboxamide
CID 93076605
N-[(3,4-dimethoxyphenyl)methyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 100556358
N-[2-(2,4-dimethylphenoxy)ethyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 100558295
3-(3-bromophenoxy)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide
CID 55718087
N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 95103339
N-[3-(2-ethylpiperidin-1-yl)propyl]-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 133265295
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 100770300
2-(2,5-dimethoxyphenyl)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide
CID 78879562
3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]propanamide
CID 125048979
3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]propanamide
CID 133210969

Frequently Asked Questions

What is the IUPAC name of 3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]propanamide?
The IUPAC name of 3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]propanamide (CID 125060384) is 3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]propanamide.
What is the SMILES notation for 3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]propanamide?
The canonical SMILES for 3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]propanamide is COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCCCN1CCC[C@H](C)C1.
What is the InChIKey of 3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]propanamide?
The InChIKey is ODUZNMJLTDCFIH-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H35N3O4S/c1-17-7-5-13-24(16-17)14-6-12-22-21(25)11-8-18-15-19(9-10-20(18)28-4)29(26,27)23(2)3/h9-10,15,17H,5-8,11-14,16H2,1-4H3,(H,22,25)/t17-/m0/s1.
What are the key properties of 3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]propanamide?
3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]propanamide has a molecular weight of 425.60 g/mol, XLogP of 2.12, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]propanamide is sourced from PubChem (CID 125060384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).