5-(1-aminopentan-2-ylsulfamoyl)-2-methoxybenzamide

C13H21N3O4S — CID 65192963

IUPAC5-(1-aminopentan-2-ylsulfamoyl)-2-methoxybenzamide
SMILESCCCC(CN)NS(=O)(=O)c1ccc(OC)c(C(N)=O)c1
InChIInChI=1S/C13H21N3O4S/c1-3-4-9(8-14)16-21(18,19)10-5-6-12(20-2)11(7-10)13(15)17/h5-7,9,16H,3-4,8,14H2,1-2H3,(H2,15,17)
InChIKeyNZJJFJBGUCJOFP-UHFFFAOYSA-N
MW315.40 g/mol
LogP0.20
Rot. Bonds8

About 5-(1-aminopentan-2-ylsulfamoyl)-2-methoxybenzamide

5-(1-aminopentan-2-ylsulfamoyl)-2-methoxybenzamide (PubChem CID 65192963) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is 5-(1-aminopentan-2-ylsulfamoyl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-(1-aminopentan-2-ylsulfamoyl)-2-methoxybenzamide
PubChem CID65192963
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC Name5-(1-aminopentan-2-ylsulfamoyl)-2-methoxybenzamide
SMILESCCCC(CN)NS(=O)(=O)c1ccc(OC)c(C(N)=O)c1
InChIInChI=1S/C13H21N3O4S/c1-3-4-9(8-14)16-21(18,19)10-5-6-12(20-2)11(7-10)13(15)17/h5-7,9,16H,3-4,8,14H2,1-2H3,(H2,15,17)
InChIKeyNZJJFJBGUCJOFP-UHFFFAOYSA-N
XLogP0.20
TPSA124.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1,3-dihydroxypropan-2-ylsulfamoyl)-2-methoxybenzamide
CID 65314128
5-(1-aminohexan-2-ylsulfamoyl)-2-methylbenzamide;hydrochloride
CID 119993235
5-[(2-amino-1-cyclohexylethyl)sulfamoyl]-2-methoxybenzamide
CID 119983507
2-methoxy-5-(pentan-2-ylsulfamoyl)benzoic acid
CID 43141079
N-(1-aminohexan-2-yl)-3-chloro-4-methoxybenzenesulfonamide;hydrochloride
CID 119993347
5-(1-hydroxybutan-2-ylsulfamoyl)-2-methoxybenzoic acid
CID 43498968
5-(tert-butylsulfamoyl)-2-methoxybenzamide
CID 42562024
2-methoxy-5-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide
CID 94181205
ethyl 4-(1-aminopentan-2-ylsulfamoyl)benzoate
CID 65192667
5-[[(2R)-1-amino-1-oxobutan-2-yl]sulfamoyl]-2-methoxybenzoic acid
CID 146133028
5-[(2-hydroxy-2-methylpropyl)sulfamoyl]-2-methoxybenzamide
CID 65113342
N-(1-aminohexan-2-yl)-3-methoxy-4-nitrobenzenesulfonamide
CID 119993030

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminopentan-2-ylsulfamoyl)-2-methoxybenzamide?
The IUPAC name of 5-(1-aminopentan-2-ylsulfamoyl)-2-methoxybenzamide (CID 65192963) is 5-(1-aminopentan-2-ylsulfamoyl)-2-methoxybenzamide.
What is the SMILES notation for 5-(1-aminopentan-2-ylsulfamoyl)-2-methoxybenzamide?
The canonical SMILES for 5-(1-aminopentan-2-ylsulfamoyl)-2-methoxybenzamide is CCCC(CN)NS(=O)(=O)c1ccc(OC)c(C(N)=O)c1.
What is the InChIKey of 5-(1-aminopentan-2-ylsulfamoyl)-2-methoxybenzamide?
The InChIKey is NZJJFJBGUCJOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-3-4-9(8-14)16-21(18,19)10-5-6-12(20-2)11(7-10)13(15)17/h5-7,9,16H,3-4,8,14H2,1-2H3,(H2,15,17).
What are the key properties of 5-(1-aminopentan-2-ylsulfamoyl)-2-methoxybenzamide?
5-(1-aminopentan-2-ylsulfamoyl)-2-methoxybenzamide has a molecular weight of 315.40 g/mol, XLogP of 0.20, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminopentan-2-ylsulfamoyl)-2-methoxybenzamide is sourced from PubChem (CID 65192963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).