3-[(2-aminopyrimidin-5-yl)methyl-methylsulfamoyl]-N-butan-2-ylbenzamide

C17H23N5O3S — CID 72933736

IUPAC3-[(2-aminopyrimidin-5-yl)methyl-methylsulfamoyl]-N-butan-2-ylbenzamide
SMILESCCC(C)NC(=O)c1cccc(S(=O)(=O)N(C)Cc2cnc(N)nc2)c1
InChIInChI=1S/C17H23N5O3S/c1-4-12(2)21-16(23)14-6-5-7-15(8-14)26(24,25)22(3)11-13-9-19-17(18)20-10-13/h5-10,12H,4,11H2,1-3H3,(H,21,23)(H2,18,19,20)
InChIKeySBFDSPUUYIYGLT-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.41
Rot. Bonds7

About 3-[(2-aminopyrimidin-5-yl)methyl-methylsulfamoyl]-N-butan-2-ylbenzamide

3-[(2-aminopyrimidin-5-yl)methyl-methylsulfamoyl]-N-butan-2-ylbenzamide (PubChem CID 72933736) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is 3-[(2-aminopyrimidin-5-yl)methyl-methylsulfamoyl]-N-butan-2-ylbenzamide.

Molecular Properties

Compound Name3-[(2-aminopyrimidin-5-yl)methyl-methylsulfamoyl]-N-butan-2-ylbenzamide
PubChem CID72933736
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC Name3-[(2-aminopyrimidin-5-yl)methyl-methylsulfamoyl]-N-butan-2-ylbenzamide
SMILESCCC(C)NC(=O)c1cccc(S(=O)(=O)N(C)Cc2cnc(N)nc2)c1
InChIInChI=1S/C17H23N5O3S/c1-4-12(2)21-16(23)14-6-5-7-15(8-14)26(24,25)22(3)11-13-9-19-17(18)20-10-13/h5-10,12H,4,11H2,1-3H3,(H,21,23)(H2,18,19,20)
InChIKeySBFDSPUUYIYGLT-UHFFFAOYSA-N
XLogP1.41
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2-aminopyrimidin-5-yl)methyl-methylsulfamoyl]-N-[(2R)-butan-2-yl]benzamide
CID 97285449
N-[(2S)-1-aminopropan-2-yl]-3-(diethylsulfamoyl)benzamide
CID 120505672
N-[(2R)-1-methoxypropan-2-yl]-3-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]sulfamoyl]benzamide
CID 97282836
3-amino-N-[(2S)-butan-2-yl]benzamide
CID 42427278
3-(dimethylsulfamoyl)-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]benzamide
CID 94623465
N-butan-2-yl-2-[[3-(dimethylsulfamoyl)benzoyl]amino]benzamide
CID 133231331
3-[benzyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 109064666
N-[(2R)-butan-2-yl]-3-(dimethylamino)benzamide
CID 25345776
3-(aminomethyl)-N-butan-2-ylbenzamide
CID 16778307
3-(bromomethyl)-N-butan-2-ylbenzamide
CID 82109543
N-butan-2-yl-3-(dimethylamino)benzamide
CID 17310829
N-[(2R)-butan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 34269316

Frequently Asked Questions

What is the IUPAC name of 3-[(2-aminopyrimidin-5-yl)methyl-methylsulfamoyl]-N-butan-2-ylbenzamide?
The IUPAC name of 3-[(2-aminopyrimidin-5-yl)methyl-methylsulfamoyl]-N-butan-2-ylbenzamide (CID 72933736) is 3-[(2-aminopyrimidin-5-yl)methyl-methylsulfamoyl]-N-butan-2-ylbenzamide.
What is the SMILES notation for 3-[(2-aminopyrimidin-5-yl)methyl-methylsulfamoyl]-N-butan-2-ylbenzamide?
The canonical SMILES for 3-[(2-aminopyrimidin-5-yl)methyl-methylsulfamoyl]-N-butan-2-ylbenzamide is CCC(C)NC(=O)c1cccc(S(=O)(=O)N(C)Cc2cnc(N)nc2)c1.
What is the InChIKey of 3-[(2-aminopyrimidin-5-yl)methyl-methylsulfamoyl]-N-butan-2-ylbenzamide?
The InChIKey is SBFDSPUUYIYGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3S/c1-4-12(2)21-16(23)14-6-5-7-15(8-14)26(24,25)22(3)11-13-9-19-17(18)20-10-13/h5-10,12H,4,11H2,1-3H3,(H,21,23)(H2,18,19,20).
What are the key properties of 3-[(2-aminopyrimidin-5-yl)methyl-methylsulfamoyl]-N-butan-2-ylbenzamide?
3-[(2-aminopyrimidin-5-yl)methyl-methylsulfamoyl]-N-butan-2-ylbenzamide has a molecular weight of 377.47 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-aminopyrimidin-5-yl)methyl-methylsulfamoyl]-N-butan-2-ylbenzamide is sourced from PubChem (CID 72933736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).