5-(cyclopropylsulfamoyl)-2-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide

C20H31N3O3S — CID 51948398

IUPAC5-(cyclopropylsulfamoyl)-2-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
SMILESCc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NCCCN1CCC[C@@H](C)C1
InChIInChI=1S/C20H31N3O3S/c1-15-5-3-11-23(14-15)12-4-10-21-20(24)19-13-18(9-6-16(19)2)27(25,26)22-17-7-8-17/h6,9,13,15,17,22H,3-5,7-8,10-12,14H2,1-2H3,(H,21,24)/t15-/m1/s1
InChIKeyNMVTXLMXLNNFET-OAHLLOKOSA-N
MW393.55 g/mol
LogP2.29
Rot. Bonds8

About 5-(cyclopropylsulfamoyl)-2-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide

5-(cyclopropylsulfamoyl)-2-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide (PubChem CID 51948398) has the molecular formula C20H31N3O3S and a molecular weight of 393.55 g/mol. Its IUPAC name is 5-(cyclopropylsulfamoyl)-2-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide.

Molecular Properties

Compound Name5-(cyclopropylsulfamoyl)-2-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
PubChem CID51948398
Molecular FormulaC20H31N3O3S
Molecular Weight393.55 g/mol
Exact Mass393.21
IUPAC Name5-(cyclopropylsulfamoyl)-2-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
SMILESCc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NCCCN1CCC[C@@H](C)C1
InChIInChI=1S/C20H31N3O3S/c1-15-5-3-11-23(14-15)12-4-10-21-20(24)19-13-18(9-6-16(19)2)27(25,26)22-17-7-8-17/h6,9,13,15,17,22H,3-5,7-8,10-12,14H2,1-2H3,(H,21,24)/t15-/m1/s1
InChIKeyNMVTXLMXLNNFET-OAHLLOKOSA-N
XLogP2.29
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(cyclopropylsulfamoyl)-2-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide 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

2-chloro-N-[3-(3-methylpiperidin-1-yl)propyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 42961781
2-chloro-N-[3-(3-methylpiperidin-1-yl)propyl]-5-piperidin-1-ylsulfonylbenzamide
CID 46387433
N-[3-(3-methylpiperidin-1-yl)propyl]-3-(methylsulfamoyl)benzamide
CID 133231319
3,4-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 133264409
3,4-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119693
4-chloro-2-fluoro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119720
5-(cyclopropylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 51233854
3-(methanesulfonamido)-4-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 55717869
4-(cyclopropylsulfamoyl)-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 18150983
N-[3-(azepan-1-yl)propyl]-4-(cyclopropylsulfamoyl)benzamide
CID 30942685
N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-2,5-dimethylbenzamide
CID 100532484
3,4-dimethyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]benzenesulfonamide
CID 94081691

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylsulfamoyl)-2-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide?
The IUPAC name of 5-(cyclopropylsulfamoyl)-2-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide (CID 51948398) is 5-(cyclopropylsulfamoyl)-2-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide.
What is the SMILES notation for 5-(cyclopropylsulfamoyl)-2-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide?
The canonical SMILES for 5-(cyclopropylsulfamoyl)-2-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide is Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NCCCN1CCC[C@@H](C)C1.
What is the InChIKey of 5-(cyclopropylsulfamoyl)-2-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide?
The InChIKey is NMVTXLMXLNNFET-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H31N3O3S/c1-15-5-3-11-23(14-15)12-4-10-21-20(24)19-13-18(9-6-16(19)2)27(25,26)22-17-7-8-17/h6,9,13,15,17,22H,3-5,7-8,10-12,14H2,1-2H3,(H,21,24)/t15-/m1/s1.
What are the key properties of 5-(cyclopropylsulfamoyl)-2-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide?
5-(cyclopropylsulfamoyl)-2-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide has a molecular weight of 393.55 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylsulfamoyl)-2-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide is sourced from PubChem (CID 51948398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).