N-(hexan-2-ylideneamino)-2-[(4-nitrophenyl)sulfonylamino]acetamide

C14H20N4O5S — CID 4102747

IUPACN-(hexan-2-ylideneamino)-2-[(4-nitrophenyl)sulfonylamino]acetamide
SMILESCCCCC(C)=NNC(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H20N4O5S/c1-3-4-5-11(2)16-17-14(19)10-15-24(22,23)13-8-6-12(7-9-13)18(20)21/h6-9,15H,3-5,10H2,1-2H3,(H,17,19)
InChIKeyPHTMCKRUBKNAAK-UHFFFAOYSA-N
MW356.40 g/mol
LogP1.56
Rot. Bonds9

About N-(hexan-2-ylideneamino)-2-[(4-nitrophenyl)sulfonylamino]acetamide

N-(hexan-2-ylideneamino)-2-[(4-nitrophenyl)sulfonylamino]acetamide (PubChem CID 4102747) has the molecular formula C14H20N4O5S and a molecular weight of 356.40 g/mol. Its IUPAC name is N-(hexan-2-ylideneamino)-2-[(4-nitrophenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(hexan-2-ylideneamino)-2-[(4-nitrophenyl)sulfonylamino]acetamide
PubChem CID4102747
Molecular FormulaC14H20N4O5S
Molecular Weight356.40 g/mol
Exact Mass356.12
IUPAC NameN-(hexan-2-ylideneamino)-2-[(4-nitrophenyl)sulfonylamino]acetamide
SMILESCCCCC(C)=NNC(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H20N4O5S/c1-3-4-5-11(2)16-17-14(19)10-15-24(22,23)13-8-6-12(7-9-13)18(20)21/h6-9,15H,3-5,10H2,1-2H3,(H,17,19)
InChIKeyPHTMCKRUBKNAAK-UHFFFAOYSA-N
XLogP1.56
TPSA130.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-nitrophenyl)sulfonylpentanamide
CID 162405454
2-(benzenesulfonamido)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
CID 6279022
4-nitrobenzenesulfonyl chloride;4-nitro-N-(2-oxopropyl)benzenesulfonamide
CID 91082928
4-nitro-N-(pentan-2-ylideneamino)benzamide
CID 5106021
methyl 3-methyl-2-[[2-[(4-nitrophenyl)sulfonylamino]acetyl]amino]pentanoate
CID 155270917
N-[(1S,3S)-3-methylcyclopentyl]-2-[(4-nitrophenyl)sulfonylamino]acetamide
CID 124679803
methyl 4-[(4-nitrophenyl)sulfonylamino]butanoate
CID 2054576
N-butyl-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 4294887
N-[4-(4-nitrophenyl)sulfonylphenyl]heptanamide
CID 46707517
N-tert-butyl-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192795
3-[(4-methylphenyl)sulfonylamino]-N-(4-nitrophenyl)propanamide
CID 4181109
[4-(butylsulfamoyl)phenyl] 4-nitrobenzoate
CID 139645110

Frequently Asked Questions

What is the IUPAC name of N-(hexan-2-ylideneamino)-2-[(4-nitrophenyl)sulfonylamino]acetamide?
The IUPAC name of N-(hexan-2-ylideneamino)-2-[(4-nitrophenyl)sulfonylamino]acetamide (CID 4102747) is N-(hexan-2-ylideneamino)-2-[(4-nitrophenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(hexan-2-ylideneamino)-2-[(4-nitrophenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(hexan-2-ylideneamino)-2-[(4-nitrophenyl)sulfonylamino]acetamide is CCCCC(C)=NNC(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(hexan-2-ylideneamino)-2-[(4-nitrophenyl)sulfonylamino]acetamide?
The InChIKey is PHTMCKRUBKNAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O5S/c1-3-4-5-11(2)16-17-14(19)10-15-24(22,23)13-8-6-12(7-9-13)18(20)21/h6-9,15H,3-5,10H2,1-2H3,(H,17,19).
What are the key properties of N-(hexan-2-ylideneamino)-2-[(4-nitrophenyl)sulfonylamino]acetamide?
N-(hexan-2-ylideneamino)-2-[(4-nitrophenyl)sulfonylamino]acetamide has a molecular weight of 356.40 g/mol, XLogP of 1.56, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hexan-2-ylideneamino)-2-[(4-nitrophenyl)sulfonylamino]acetamide is sourced from PubChem (CID 4102747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).