N-[3-(4-methylpiperidin-1-yl)propyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide

C20H33N3O3S — CID 35415769

IUPACN-[3-(4-methylpiperidin-1-yl)propyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCC1CCN(CCCNC(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)CC1
InChIInChI=1S/C20H33N3O3S/c1-16(2)22(4)27(25,26)19-8-5-7-18(15-19)20(24)21-11-6-12-23-13-9-17(3)10-14-23/h5,7-8,15-17H,6,9-14H2,1-4H3,(H,21,24)
InChIKeyRIXDQDPXMJFWJC-UHFFFAOYSA-N
MW395.57 g/mol
LogP2.57
Rot. Bonds8

About N-[3-(4-methylpiperidin-1-yl)propyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide

N-[3-(4-methylpiperidin-1-yl)propyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide (PubChem CID 35415769) has the molecular formula C20H33N3O3S and a molecular weight of 395.57 g/mol. Its IUPAC name is N-[3-(4-methylpiperidin-1-yl)propyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperidin-1-yl)propyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
PubChem CID35415769
Molecular FormulaC20H33N3O3S
Molecular Weight395.57 g/mol
Exact Mass395.22
IUPAC NameN-[3-(4-methylpiperidin-1-yl)propyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCC1CCN(CCCNC(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)CC1
InChIInChI=1S/C20H33N3O3S/c1-16(2)22(4)27(25,26)19-8-5-7-18(15-19)20(24)21-11-6-12-23-13-9-17(3)10-14-23/h5,7-8,15-17H,6,9-14H2,1-4H3,(H,21,24)
InChIKeyRIXDQDPXMJFWJC-UHFFFAOYSA-N
XLogP2.57
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.57
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 31093187
3-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)benzamide
CID 43020134
3-[methyl(propan-2-yl)sulfamoyl]-N-propylbenzamide
CID 30878906
N-(3-cyclohexyloxypropyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 31719960
N-(2-aminoethyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride
CID 119383832
N-[4-(4-methylpiperidin-1-yl)butyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 55716578
N-[4-(4-methylpiperazin-1-yl)butyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55656712
3-[methyl(propan-2-yl)sulfamoyl]-N-(2-phenylethyl)benzamide
CID 26913083
4-[methyl(propan-2-yl)sulfamoyl]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119394399
3-(4-methylpiperidin-1-yl)sulfonyl-N-pentylbenzamide
CID 109063454
3-methyl-4-[methyl(methylsulfonyl)amino]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 50945337
N-[3-(4-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide
CID 100628883

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperidin-1-yl)propyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide?
The IUPAC name of N-[3-(4-methylpiperidin-1-yl)propyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide (CID 35415769) is N-[3-(4-methylpiperidin-1-yl)propyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide.
What is the SMILES notation for N-[3-(4-methylpiperidin-1-yl)propyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide?
The canonical SMILES for N-[3-(4-methylpiperidin-1-yl)propyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide is CC1CCN(CCCNC(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)CC1.
What is the InChIKey of N-[3-(4-methylpiperidin-1-yl)propyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide?
The InChIKey is RIXDQDPXMJFWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3S/c1-16(2)22(4)27(25,26)19-8-5-7-18(15-19)20(24)21-11-6-12-23-13-9-17(3)10-14-23/h5,7-8,15-17H,6,9-14H2,1-4H3,(H,21,24).
What are the key properties of N-[3-(4-methylpiperidin-1-yl)propyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide?
N-[3-(4-methylpiperidin-1-yl)propyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide has a molecular weight of 395.57 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperidin-1-yl)propyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide is sourced from PubChem (CID 35415769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).