N-(1-hydroxy-2-methylpropan-2-yl)-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide

C16H26N2O4S — CID 2138696

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide
SMILESCc1ccc(S(=O)(=O)N(C)CCCC(=O)NC(C)(C)CO)cc1
InChIInChI=1S/C16H26N2O4S/c1-13-7-9-14(10-8-13)23(21,22)18(4)11-5-6-15(20)17-16(2,3)12-19/h7-10,19H,5-6,11-12H2,1-4H3,(H,17,20)
InChIKeyWTOPXSWFBJWXFB-UHFFFAOYSA-N
MW342.46 g/mol
LogP1.28
Rot. Bonds8

About N-(1-hydroxy-2-methylpropan-2-yl)-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide

N-(1-hydroxy-2-methylpropan-2-yl)-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide (PubChem CID 2138696) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide
PubChem CID2138696
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide
SMILESCc1ccc(S(=O)(=O)N(C)CCCC(=O)NC(C)(C)CO)cc1
InChIInChI=1S/C16H26N2O4S/c1-13-7-9-14(10-8-13)23(21,22)18(4)11-5-6-15(20)17-16(2,3)12-19/h7-10,19H,5-6,11-12H2,1-4H3,(H,17,20)
InChIKeyWTOPXSWFBJWXFB-UHFFFAOYSA-N
XLogP1.28
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide (CID 2138696) is N-(1-hydroxy-2-methylpropan-2-yl)-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide is Cc1ccc(S(=O)(=O)N(C)CCCC(=O)NC(C)(C)CO)cc1.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide?
The InChIKey is WTOPXSWFBJWXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-13-7-9-14(10-8-13)23(21,22)18(4)11-5-6-15(20)17-16(2,3)12-19/h7-10,19H,5-6,11-12H2,1-4H3,(H,17,20).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide?
N-(1-hydroxy-2-methylpropan-2-yl)-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide has a molecular weight of 342.46 g/mol, XLogP of 1.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide is sourced from PubChem (CID 2138696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).