N-(1-aminopropan-2-yl)-4-(butan-2-ylsulfamoyl)-N-methylbenzamide

C15H25N3O3S — CID 119584388

IUPACN-(1-aminopropan-2-yl)-4-(butan-2-ylsulfamoyl)-N-methylbenzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)N(C)C(C)CN)cc1
InChIInChI=1S/C15H25N3O3S/c1-5-11(2)17-22(20,21)14-8-6-13(7-9-14)15(19)18(4)12(3)10-16/h6-9,11-12,17H,5,10,16H2,1-4H3
InChIKeyHFZNPTYTZXEVJP-UHFFFAOYSA-N
MW327.45 g/mol
LogP1.18
Rot. Bonds7

About N-(1-aminopropan-2-yl)-4-(butan-2-ylsulfamoyl)-N-methylbenzamide

N-(1-aminopropan-2-yl)-4-(butan-2-ylsulfamoyl)-N-methylbenzamide (PubChem CID 119584388) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-4-(butan-2-ylsulfamoyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-4-(butan-2-ylsulfamoyl)-N-methylbenzamide
PubChem CID119584388
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC NameN-(1-aminopropan-2-yl)-4-(butan-2-ylsulfamoyl)-N-methylbenzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)N(C)C(C)CN)cc1
InChIInChI=1S/C15H25N3O3S/c1-5-11(2)17-22(20,21)14-8-6-13(7-9-14)15(19)18(4)12(3)10-16/h6-9,11-12,17H,5,10,16H2,1-4H3
InChIKeyHFZNPTYTZXEVJP-UHFFFAOYSA-N
XLogP1.18
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminopropan-2-yl)-N-methyl-4-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119584451
N-(1-aminopropan-2-yl)-4-(dipropylsulfamoyl)-N-methylbenzamide
CID 119581442
N-(1-aminopropan-2-yl)-4-[(4-ethoxyphenyl)sulfonylamino]-N-methylbenzamide;hydrochloride
CID 119584302
N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-(butan-2-ylsulfamoyl)-N-methylbenzamide
CID 46452295
methyl 4-(butan-2-ylsulfamoyl)benzoate
CID 60681168
4-(butan-2-ylsulfamoyl)-N-[2-(diethylamino)ethyl]benzamide
CID 43007097
3-[[4-(butan-2-ylsulfamoyl)benzoyl]-ethylamino]propanoic acid
CID 119190814
N-(1-aminopropan-2-yl)-N-methyl-4-[methyl(phenyl)sulfamoyl]benzamide
CID 119583533
N-(1-aminopropan-2-yl)-4-(dimethylamino)-N-methylbenzamide
CID 104556646
1-N-(1-aminopropan-2-yl)-4-N,4-N-diethyl-1-N-methylbenzene-1,4-dicarboxamide
CID 119584199
2-[[4-(butan-2-ylsulfamoyl)benzoyl]-propylamino]acetic acid
CID 119204732
2-[[4-(butan-2-ylsulfamoyl)benzoyl]-(2-methylpropyl)amino]acetic acid
CID 119192606

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-4-(butan-2-ylsulfamoyl)-N-methylbenzamide?
The IUPAC name of N-(1-aminopropan-2-yl)-4-(butan-2-ylsulfamoyl)-N-methylbenzamide (CID 119584388) is N-(1-aminopropan-2-yl)-4-(butan-2-ylsulfamoyl)-N-methylbenzamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-4-(butan-2-ylsulfamoyl)-N-methylbenzamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-4-(butan-2-ylsulfamoyl)-N-methylbenzamide is CCC(C)NS(=O)(=O)c1ccc(C(=O)N(C)C(C)CN)cc1.
What is the InChIKey of N-(1-aminopropan-2-yl)-4-(butan-2-ylsulfamoyl)-N-methylbenzamide?
The InChIKey is HFZNPTYTZXEVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-5-11(2)17-22(20,21)14-8-6-13(7-9-14)15(19)18(4)12(3)10-16/h6-9,11-12,17H,5,10,16H2,1-4H3.
What are the key properties of N-(1-aminopropan-2-yl)-4-(butan-2-ylsulfamoyl)-N-methylbenzamide?
N-(1-aminopropan-2-yl)-4-(butan-2-ylsulfamoyl)-N-methylbenzamide has a molecular weight of 327.45 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-4-(butan-2-ylsulfamoyl)-N-methylbenzamide is sourced from PubChem (CID 119584388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).