N-butan-2-yl-2-[(4-tert-butylphenyl)sulfonylamino]acetamide

C16H26N2O3S — CID 112990855

IUPACN-butan-2-yl-2-[(4-tert-butylphenyl)sulfonylamino]acetamide
SMILESCCC(C)NC(=O)CNS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26N2O3S/c1-6-12(2)18-15(19)11-17-22(20,21)14-9-7-13(8-10-14)16(3,4)5/h7-10,12,17H,6,11H2,1-5H3,(H,18,19)
InChIKeyLPQYVFITFHRTFZ-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.18
Rot. Bonds6

About N-butan-2-yl-2-[(4-tert-butylphenyl)sulfonylamino]acetamide

N-butan-2-yl-2-[(4-tert-butylphenyl)sulfonylamino]acetamide (PubChem CID 112990855) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-butan-2-yl-2-[(4-tert-butylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(4-tert-butylphenyl)sulfonylamino]acetamide
PubChem CID112990855
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-butan-2-yl-2-[(4-tert-butylphenyl)sulfonylamino]acetamide
SMILESCCC(C)NC(=O)CNS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26N2O3S/c1-6-12(2)18-15(19)11-17-22(20,21)14-9-7-13(8-10-14)16(3,4)5/h7-10,12,17H,6,11H2,1-5H3,(H,18,19)
InChIKeyLPQYVFITFHRTFZ-UHFFFAOYSA-N
XLogP2.18
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-butan-2-yl-3-(4-tert-butylphenyl)sulfonylurea
CID 163566392
N-butyl-2-[(4-tert-butylphenyl)sulfonylamino]acetamide
CID 112990709
2-[(4-tert-butylphenyl)sulfonylamino]acetamide
CID 9189386
N-butan-2-yl-2-[(3-methylphenyl)sulfonylamino]acetamide
CID 112990843
N-butan-2-yl-2-[(2-chlorophenyl)sulfonylamino]acetamide
CID 112990861
4-tert-butyl-N-ethylbenzenesulfonamide
CID 846956
N-hydroxy-2-[[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]acetamide
CID 58835324
4-tert-butyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 112995708
4-tert-butyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 112991053
N-(4-tert-butylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 9203847
2-[(4-tert-butylphenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]acetamide
CID 110601053
2-[(4-tert-butylphenyl)sulfonylamino]-N-(4-cyanophenyl)acetamide
CID 113002113

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(4-tert-butylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-butan-2-yl-2-[(4-tert-butylphenyl)sulfonylamino]acetamide (CID 112990855) is N-butan-2-yl-2-[(4-tert-butylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[(4-tert-butylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-butan-2-yl-2-[(4-tert-butylphenyl)sulfonylamino]acetamide is CCC(C)NC(=O)CNS(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-butan-2-yl-2-[(4-tert-butylphenyl)sulfonylamino]acetamide?
The InChIKey is LPQYVFITFHRTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-6-12(2)18-15(19)11-17-22(20,21)14-9-7-13(8-10-14)16(3,4)5/h7-10,12,17H,6,11H2,1-5H3,(H,18,19).
What are the key properties of N-butan-2-yl-2-[(4-tert-butylphenyl)sulfonylamino]acetamide?
N-butan-2-yl-2-[(4-tert-butylphenyl)sulfonylamino]acetamide has a molecular weight of 326.46 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[(4-tert-butylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 112990855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).