2-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-3-sulfamoylbenzamide

C17H27N3O3S — CID 75431995

IUPAC2-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-3-sulfamoylbenzamide
SMILESCc1c(C(=O)NCC(C)N2CCC(C)CC2)cccc1S(N)(=O)=O
InChIInChI=1S/C17H27N3O3S/c1-12-7-9-20(10-8-12)13(2)11-19-17(21)15-5-4-6-16(14(15)3)24(18,22)23/h4-6,12-13H,7-11H2,1-3H3,(H,19,21)(H2,18,22,23)
InChIKeyBZUSIRBDSJNKSH-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.49
Rot. Bonds5

About 2-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-3-sulfamoylbenzamide

2-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-3-sulfamoylbenzamide (PubChem CID 75431995) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-3-sulfamoylbenzamide.

Molecular Properties

Compound Name2-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-3-sulfamoylbenzamide
PubChem CID75431995
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name2-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-3-sulfamoylbenzamide
SMILESCc1c(C(=O)NCC(C)N2CCC(C)CC2)cccc1S(N)(=O)=O
InChIInChI=1S/C17H27N3O3S/c1-12-7-9-20(10-8-12)13(2)11-19-17(21)15-5-4-6-16(14(15)3)24(18,22)23/h4-6,12-13H,7-11H2,1-3H3,(H,19,21)(H2,18,22,23)
InChIKeyBZUSIRBDSJNKSH-UHFFFAOYSA-N
XLogP1.49
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-3-[[(2R)-2-(4-methylpiperidin-1-yl)propyl]carbamoylamino]benzamide
CID 95154688
N-[2-(4-methylpiperidin-1-yl)propyl]benzamide
CID 112502434
5-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide;dihydrochloride
CID 120645515
3-bromo-2-methyl-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 79035923
2-hydroxy-N-[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
CID 39111251
2,3-dihydroxy-N-(2-piperidin-1-ylpropyl)benzamide
CID 114344224
3-(methanesulfonamido)-4-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide
CID 51126883
2-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
CID 119946551
1-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-2-oxoquinoline-4-carboxamide
CID 146125810
4-(2-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-4-oxobutanamide
CID 110620731
5-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]furan-2-carboxamide
CID 86853139
2-bromo-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide
CID 47036181

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-3-sulfamoylbenzamide?
The IUPAC name of 2-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-3-sulfamoylbenzamide (CID 75431995) is 2-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-3-sulfamoylbenzamide.
What is the SMILES notation for 2-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-3-sulfamoylbenzamide?
The canonical SMILES for 2-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-3-sulfamoylbenzamide is Cc1c(C(=O)NCC(C)N2CCC(C)CC2)cccc1S(N)(=O)=O.
What is the InChIKey of 2-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-3-sulfamoylbenzamide?
The InChIKey is BZUSIRBDSJNKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-12-7-9-20(10-8-12)13(2)11-19-17(21)15-5-4-6-16(14(15)3)24(18,22)23/h4-6,12-13H,7-11H2,1-3H3,(H,19,21)(H2,18,22,23).
What are the key properties of 2-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-3-sulfamoylbenzamide?
2-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-3-sulfamoylbenzamide has a molecular weight of 353.49 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-3-sulfamoylbenzamide is sourced from PubChem (CID 75431995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).