N-tert-butyl-3-methyl-2-[(2-nitrophenyl)sulfonylamino]butanamide

C15H23N3O5S — CID 3422773

IUPACN-tert-butyl-3-methyl-2-[(2-nitrophenyl)sulfonylamino]butanamide
SMILESCC(C)C(NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)NC(C)(C)C
InChIInChI=1S/C15H23N3O5S/c1-10(2)13(14(19)16-15(3,4)5)17-24(22,23)12-9-7-6-8-11(12)18(20)21/h6-10,13,17H,1-5H3,(H,16,19)
InChIKeyQYXQLPBPXAAUQC-UHFFFAOYSA-N
MW357.43 g/mol
LogP1.81
Rot. Bonds6

About N-tert-butyl-3-methyl-2-[(2-nitrophenyl)sulfonylamino]butanamide

N-tert-butyl-3-methyl-2-[(2-nitrophenyl)sulfonylamino]butanamide (PubChem CID 3422773) has the molecular formula C15H23N3O5S and a molecular weight of 357.43 g/mol. Its IUPAC name is N-tert-butyl-3-methyl-2-[(2-nitrophenyl)sulfonylamino]butanamide.

Molecular Properties

Compound NameN-tert-butyl-3-methyl-2-[(2-nitrophenyl)sulfonylamino]butanamide
PubChem CID3422773
Molecular FormulaC15H23N3O5S
Molecular Weight357.43 g/mol
Exact Mass357.14
IUPAC NameN-tert-butyl-3-methyl-2-[(2-nitrophenyl)sulfonylamino]butanamide
SMILESCC(C)C(NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)NC(C)(C)C
InChIInChI=1S/C15H23N3O5S/c1-10(2)13(14(19)16-15(3,4)5)17-24(22,23)12-9-7-6-8-11(12)18(20)21/h6-10,13,17H,1-5H3,(H,16,19)
InChIKeyQYXQLPBPXAAUQC-UHFFFAOYSA-N
XLogP1.81
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-methyl-2-[(2-nitrophenyl)sulfonylamino]butanamide?
The IUPAC name of N-tert-butyl-3-methyl-2-[(2-nitrophenyl)sulfonylamino]butanamide (CID 3422773) is N-tert-butyl-3-methyl-2-[(2-nitrophenyl)sulfonylamino]butanamide.
What is the SMILES notation for N-tert-butyl-3-methyl-2-[(2-nitrophenyl)sulfonylamino]butanamide?
The canonical SMILES for N-tert-butyl-3-methyl-2-[(2-nitrophenyl)sulfonylamino]butanamide is CC(C)C(NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-methyl-2-[(2-nitrophenyl)sulfonylamino]butanamide?
The InChIKey is QYXQLPBPXAAUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O5S/c1-10(2)13(14(19)16-15(3,4)5)17-24(22,23)12-9-7-6-8-11(12)18(20)21/h6-10,13,17H,1-5H3,(H,16,19).
What are the key properties of N-tert-butyl-3-methyl-2-[(2-nitrophenyl)sulfonylamino]butanamide?
N-tert-butyl-3-methyl-2-[(2-nitrophenyl)sulfonylamino]butanamide has a molecular weight of 357.43 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-methyl-2-[(2-nitrophenyl)sulfonylamino]butanamide is sourced from PubChem (CID 3422773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).