N-tert-butyl-3-[(4-nitrophenyl)sulfonylamino]propanamide

C13H19N3O5S — CID 17192795

IUPACN-tert-butyl-3-[(4-nitrophenyl)sulfonylamino]propanamide
SMILESCC(C)(C)NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H19N3O5S/c1-13(2,3)15-12(17)8-9-14-22(20,21)11-6-4-10(5-7-11)16(18)19/h4-7,14H,8-9H2,1-3H3,(H,15,17)
InChIKeyPCFADFYSYOFYTE-UHFFFAOYSA-N
MW329.38 g/mol
LogP1.18
Rot. Bonds6

About N-tert-butyl-3-[(4-nitrophenyl)sulfonylamino]propanamide

N-tert-butyl-3-[(4-nitrophenyl)sulfonylamino]propanamide (PubChem CID 17192795) has the molecular formula C13H19N3O5S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-tert-butyl-3-[(4-nitrophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[(4-nitrophenyl)sulfonylamino]propanamide
PubChem CID17192795
Molecular FormulaC13H19N3O5S
Molecular Weight329.38 g/mol
Exact Mass329.10
IUPAC NameN-tert-butyl-3-[(4-nitrophenyl)sulfonylamino]propanamide
SMILESCC(C)(C)NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H19N3O5S/c1-13(2,3)15-12(17)8-9-14-22(20,21)11-6-4-10(5-7-11)16(18)19/h4-7,14H,8-9H2,1-3H3,(H,15,17)
InChIKeyPCFADFYSYOFYTE-UHFFFAOYSA-N
XLogP1.18
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.18
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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Related Compounds

N-(2-aminoethyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 119382683
3-[(4-methylphenyl)sulfonylamino]-N-(4-nitrophenyl)propanamide
CID 4181109
N-[3-(methylamino)propyl]-3-[(4-nitrophenyl)sulfonylamino]propanamide;hydrochloride
CID 119430375
N-tert-butyl-3-[(4-nitrophenyl)methylamino]propanamide
CID 115605393
N-[2-(2,2-dimethylpropylamino)ethyl]-4-nitrobenzenesulfonamide
CID 119110475
N-(4-iodophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192861
3-[(4-nitrophenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide
CID 17192941
3-amino-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]propanamide;hydrochloride
CID 119305416
3-[(4-nitrophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide
CID 17192905
4-(methylamino)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]butanamide;hydrochloride
CID 119752364
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192985
methyl 4-[(4-nitrophenyl)sulfonylamino]butanoate
CID 2054576

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[(4-nitrophenyl)sulfonylamino]propanamide?
The IUPAC name of N-tert-butyl-3-[(4-nitrophenyl)sulfonylamino]propanamide (CID 17192795) is N-tert-butyl-3-[(4-nitrophenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-tert-butyl-3-[(4-nitrophenyl)sulfonylamino]propanamide?
The canonical SMILES for N-tert-butyl-3-[(4-nitrophenyl)sulfonylamino]propanamide is CC(C)(C)NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-tert-butyl-3-[(4-nitrophenyl)sulfonylamino]propanamide?
The InChIKey is PCFADFYSYOFYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5S/c1-13(2,3)15-12(17)8-9-14-22(20,21)11-6-4-10(5-7-11)16(18)19/h4-7,14H,8-9H2,1-3H3,(H,15,17).
What are the key properties of N-tert-butyl-3-[(4-nitrophenyl)sulfonylamino]propanamide?
N-tert-butyl-3-[(4-nitrophenyl)sulfonylamino]propanamide has a molecular weight of 329.38 g/mol, XLogP of 1.18, 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-[(4-nitrophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 17192795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).