4-methyl-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-morpholin-4-ylsulfonylbenzamide

C21H33N3O4S — CID 9472673

IUPAC4-methyl-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)NCCCN2CCCC[C@H]2C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H33N3O4S/c1-17-7-8-19(16-20(17)29(26,27)24-12-14-28-15-13-24)21(25)22-9-5-11-23-10-4-3-6-18(23)2/h7-8,16,18H,3-6,9-15H2,1-2H3,(H,22,25)/t18-/m1/s1
InChIKeyUIVCLDLCDGQAAC-GOSISDBHSA-N
MW423.58 g/mol
LogP2.01
Rot. Bonds7

About 4-methyl-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-morpholin-4-ylsulfonylbenzamide

4-methyl-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 9472673) has the molecular formula C21H33N3O4S and a molecular weight of 423.58 g/mol. Its IUPAC name is 4-methyl-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-methyl-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID9472673
Molecular FormulaC21H33N3O4S
Molecular Weight423.58 g/mol
Exact Mass423.22
IUPAC Name4-methyl-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)NCCCN2CCCC[C@H]2C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H33N3O4S/c1-17-7-8-19(16-20(17)29(26,27)24-12-14-28-15-13-24)21(25)22-9-5-11-23-10-4-3-6-18(23)2/h7-8,16,18H,3-6,9-15H2,1-2H3,(H,22,25)/t18-/m1/s1
InChIKeyUIVCLDLCDGQAAC-GOSISDBHSA-N
XLogP2.01
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.58
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-methyl-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-morpholin-4-ylsulfonylbenzamide 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

N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 95082114
4-hydroxy-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 103956294
4-chloro-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-(methylsulfamoyl)benzamide
CID 9473011
3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9473209
4-methyl-N-[2-(methylamino)ethyl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119503940
N-[3-(3,4-dichlorophenyl)propyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 60583878
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-methylsulfonylbenzamide
CID 9473048
4-bromo-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 7998756
4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 38989093
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
N-[4-(2-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide
CID 51115795
3-(azepan-1-ylsulfonyl)-N-(3-methoxypropyl)-4-methylbenzamide
CID 7357086

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 4-methyl-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-morpholin-4-ylsulfonylbenzamide (CID 9472673) is 4-methyl-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 4-methyl-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 4-methyl-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-morpholin-4-ylsulfonylbenzamide is Cc1ccc(C(=O)NCCCN2CCCC[C@H]2C)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-methyl-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is UIVCLDLCDGQAAC-GOSISDBHSA-N. The full InChI is InChI=1S/C21H33N3O4S/c1-17-7-8-19(16-20(17)29(26,27)24-12-14-28-15-13-24)21(25)22-9-5-11-23-10-4-3-6-18(23)2/h7-8,16,18H,3-6,9-15H2,1-2H3,(H,22,25)/t18-/m1/s1.
What are the key properties of 4-methyl-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-morpholin-4-ylsulfonylbenzamide?
4-methyl-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 423.58 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 9472673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).