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

C13H20N2O3S — CID 4301057

IUPACN-butan-2-yl-2-[(4-methylphenyl)sulfonylamino]acetamide
SMILESCCC(C)NC(=O)CNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C13H20N2O3S/c1-4-11(3)15-13(16)9-14-19(17,18)12-7-5-10(2)6-8-12/h5-8,11,14H,4,9H2,1-3H3,(H,15,16)
InChIKeyONPUYVHJTCWDNM-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.19
Rot. Bonds6

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

N-butan-2-yl-2-[(4-methylphenyl)sulfonylamino]acetamide (PubChem CID 4301057) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-butan-2-yl-2-[(4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(4-methylphenyl)sulfonylamino]acetamide
PubChem CID4301057
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-butan-2-yl-2-[(4-methylphenyl)sulfonylamino]acetamide
SMILESCCC(C)NC(=O)CNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C13H20N2O3S/c1-4-11(3)15-13(16)9-14-19(17,18)12-7-5-10(2)6-8-12/h5-8,11,14H,4,9H2,1-3H3,(H,15,16)
InChIKeyONPUYVHJTCWDNM-UHFFFAOYSA-N
XLogP1.19
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(4-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-butan-2-yl-2-[(4-methylphenyl)sulfonylamino]acetamide (CID 4301057) is N-butan-2-yl-2-[(4-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[(4-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-butan-2-yl-2-[(4-methylphenyl)sulfonylamino]acetamide is CCC(C)NC(=O)CNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-butan-2-yl-2-[(4-methylphenyl)sulfonylamino]acetamide?
The InChIKey is ONPUYVHJTCWDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-4-11(3)15-13(16)9-14-19(17,18)12-7-5-10(2)6-8-12/h5-8,11,14H,4,9H2,1-3H3,(H,15,16).
What are the key properties of N-butan-2-yl-2-[(4-methylphenyl)sulfonylamino]acetamide?
N-butan-2-yl-2-[(4-methylphenyl)sulfonylamino]acetamide has a molecular weight of 284.38 g/mol, XLogP of 1.19, 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-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 4301057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).