(2R)-2-acetamido-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide

C16H25N3O4S — CID 9219372

IUPAC(2R)-2-acetamido-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
SMILESCC(=O)N[C@@H](C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1)C(C)C
InChIInChI=1S/C16H25N3O4S/c1-10(2)15(17-12(5)20)16(21)18-13-6-8-14(9-7-13)24(22,23)19-11(3)4/h6-11,15,19H,1-5H3,(H,17,20)(H,18,21)/t15-/m1/s1
InChIKeyAUUCKAFIMGKVFA-OAHLLOKOSA-N
MW355.46 g/mol
LogP1.47
Rot. Bonds7

About (2R)-2-acetamido-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide

(2R)-2-acetamido-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide (PubChem CID 9219372) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is (2R)-2-acetamido-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
PubChem CID9219372
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name(2R)-2-acetamido-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
SMILESCC(=O)N[C@@H](C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1)C(C)C
InChIInChI=1S/C16H25N3O4S/c1-10(2)15(17-12(5)20)16(21)18-13-6-8-14(9-7-13)24(22,23)19-11(3)4/h6-11,15,19H,1-5H3,(H,17,20)(H,18,21)/t15-/m1/s1
InChIKeyAUUCKAFIMGKVFA-OAHLLOKOSA-N
XLogP1.47
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(4-acetamidophenyl)sulfonylamino]-3-methylbutanoic acid
CID 773550
(2R)-2-[(4-acetamidophenyl)sulfonylamino]-3-methylbutanoate
CID 7314858
2-acetamido-N-(4-bromophenyl)-3-methylbutanamide
CID 17391080
N-(4-acetamidophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 27648936
(2R)-2-acetamido-N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-3-methylbutanamide
CID 40954178
2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119269225
(2S,3R)-2-(carbamoylamino)-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 2569295
2-(carbamoylamino)-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 4780829
2-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 18668315
2-ethoxy-N-[3-methyl-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]butan-2-yl]benzamide
CID 24635375
3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]but-2-enamide
CID 26715230
[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 3-methylbut-2-enoate
CID 42901186

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide?
The IUPAC name of (2R)-2-acetamido-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide (CID 9219372) is (2R)-2-acetamido-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide.
What is the SMILES notation for (2R)-2-acetamido-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide?
The canonical SMILES for (2R)-2-acetamido-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide is CC(=O)N[C@@H](C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1)C(C)C.
What is the InChIKey of (2R)-2-acetamido-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide?
The InChIKey is AUUCKAFIMGKVFA-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-10(2)15(17-12(5)20)16(21)18-13-6-8-14(9-7-13)24(22,23)19-11(3)4/h6-11,15,19H,1-5H3,(H,17,20)(H,18,21)/t15-/m1/s1.
What are the key properties of (2R)-2-acetamido-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide?
(2R)-2-acetamido-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide has a molecular weight of 355.46 g/mol, XLogP of 1.47, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide is sourced from PubChem (CID 9219372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).