N-tert-butyl-2-[(4-methylphenyl)sulfonylamino]propanamide

C14H22N2O3S — CID 3876999

IUPACN-tert-butyl-2-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)NC(C)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C14H22N2O3S/c1-10-6-8-12(9-7-10)20(18,19)16-11(2)13(17)15-14(3,4)5/h6-9,11,16H,1-5H3,(H,15,17)
InChIKeyVAIUAECUYVOYBP-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.58
Rot. Bonds4

About N-tert-butyl-2-[(4-methylphenyl)sulfonylamino]propanamide

N-tert-butyl-2-[(4-methylphenyl)sulfonylamino]propanamide (PubChem CID 3876999) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-tert-butyl-2-[(4-methylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(4-methylphenyl)sulfonylamino]propanamide
PubChem CID3876999
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-tert-butyl-2-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)NC(C)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C14H22N2O3S/c1-10-6-8-12(9-7-10)20(18,19)16-11(2)13(17)15-14(3,4)5/h6-9,11,16H,1-5H3,(H,15,17)
InChIKeyVAIUAECUYVOYBP-UHFFFAOYSA-N
XLogP1.58
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(4-methylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-tert-butyl-2-[(4-methylphenyl)sulfonylamino]propanamide (CID 3876999) is N-tert-butyl-2-[(4-methylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[(4-methylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-tert-butyl-2-[(4-methylphenyl)sulfonylamino]propanamide is Cc1ccc(S(=O)(=O)NC(C)C(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-2-[(4-methylphenyl)sulfonylamino]propanamide?
The InChIKey is VAIUAECUYVOYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-10-6-8-12(9-7-10)20(18,19)16-11(2)13(17)15-14(3,4)5/h6-9,11,16H,1-5H3,(H,15,17).
What are the key properties of N-tert-butyl-2-[(4-methylphenyl)sulfonylamino]propanamide?
N-tert-butyl-2-[(4-methylphenyl)sulfonylamino]propanamide has a molecular weight of 298.41 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(4-methylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 3876999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).