2-methoxy-5-[(1-methylpiperidin-4-yl)sulfamoyl]-N-propan-2-ylbenzamide

C17H27N3O4S — CID 53283023

IUPAC2-methoxy-5-[(1-methylpiperidin-4-yl)sulfamoyl]-N-propan-2-ylbenzamide
SMILESCOc1ccc(S(=O)(=O)NC2CCN(C)CC2)cc1C(=O)NC(C)C
InChIInChI=1S/C17H27N3O4S/c1-12(2)18-17(21)15-11-14(5-6-16(15)24-4)25(22,23)19-13-7-9-20(3)10-8-13/h5-6,11-13,19H,7-10H2,1-4H3,(H,18,21)
InChIKeyBFKBZUPXKOCPPC-UHFFFAOYSA-N
MW369.49 g/mol
LogP1.21
Rot. Bonds6

About 2-methoxy-5-[(1-methylpiperidin-4-yl)sulfamoyl]-N-propan-2-ylbenzamide

2-methoxy-5-[(1-methylpiperidin-4-yl)sulfamoyl]-N-propan-2-ylbenzamide (PubChem CID 53283023) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is 2-methoxy-5-[(1-methylpiperidin-4-yl)sulfamoyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-methoxy-5-[(1-methylpiperidin-4-yl)sulfamoyl]-N-propan-2-ylbenzamide
PubChem CID53283023
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC Name2-methoxy-5-[(1-methylpiperidin-4-yl)sulfamoyl]-N-propan-2-ylbenzamide
SMILESCOc1ccc(S(=O)(=O)NC2CCN(C)CC2)cc1C(=O)NC(C)C
InChIInChI=1S/C17H27N3O4S/c1-12(2)18-17(21)15-11-14(5-6-16(15)24-4)25(22,23)19-13-7-9-20(3)10-8-13/h5-6,11-13,19H,7-10H2,1-4H3,(H,18,21)
InChIKeyBFKBZUPXKOCPPC-UHFFFAOYSA-N
XLogP1.21
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide
CID 98054835
5-(cyclopropylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 51233854
2-methoxy-5-(piperidin-4-ylsulfamoyl)benzoic acid
CID 61403148
N-(1-cyclobutylethyl)-2-methoxy-5-sulfamoylbenzamide
CID 115769101
methoxy-[2-methoxy-4-[(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-oxoazanium
CID 123199853
5-(cyclopropylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-2-methylbenzamide
CID 18131994
2-methoxy-N-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzenesulfonamide
CID 99967091
2-methoxy-5-[[(1R)-1-(4-methylphenyl)ethyl]sulfamoyl]-N-propan-2-ylbenzamide
CID 28572520
2-methoxy-5-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfamoyl]-N-propan-2-ylbenzamide
CID 100531007
methyl 3-[(1-methylpiperidin-4-yl)sulfamoyl]benzoate
CID 100692122
2-methoxy-N-propan-2-yl-5-[1-(2,4,5-trimethylphenyl)ethylsulfamoyl]benzamide
CID 133220057
2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide
CID 132665450

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(1-methylpiperidin-4-yl)sulfamoyl]-N-propan-2-ylbenzamide?
The IUPAC name of 2-methoxy-5-[(1-methylpiperidin-4-yl)sulfamoyl]-N-propan-2-ylbenzamide (CID 53283023) is 2-methoxy-5-[(1-methylpiperidin-4-yl)sulfamoyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-methoxy-5-[(1-methylpiperidin-4-yl)sulfamoyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-methoxy-5-[(1-methylpiperidin-4-yl)sulfamoyl]-N-propan-2-ylbenzamide is COc1ccc(S(=O)(=O)NC2CCN(C)CC2)cc1C(=O)NC(C)C.
What is the InChIKey of 2-methoxy-5-[(1-methylpiperidin-4-yl)sulfamoyl]-N-propan-2-ylbenzamide?
The InChIKey is BFKBZUPXKOCPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-12(2)18-17(21)15-11-14(5-6-16(15)24-4)25(22,23)19-13-7-9-20(3)10-8-13/h5-6,11-13,19H,7-10H2,1-4H3,(H,18,21).
What are the key properties of 2-methoxy-5-[(1-methylpiperidin-4-yl)sulfamoyl]-N-propan-2-ylbenzamide?
2-methoxy-5-[(1-methylpiperidin-4-yl)sulfamoyl]-N-propan-2-ylbenzamide has a molecular weight of 369.49 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(1-methylpiperidin-4-yl)sulfamoyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 53283023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).