2-amino-N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]pentanamide

C13H20N4O5S — CID 119329237

IUPAC2-amino-N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]pentanamide
SMILESCCCC(N)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H20N4O5S/c1-2-5-10(14)13(18)15-8-9-16-23(21,22)12-7-4-3-6-11(12)17(19)20/h3-4,6-7,10,16H,2,5,8-9,14H2,1H3,(H,15,18)
InChIKeyGICXBLRKGFZBLH-UHFFFAOYSA-N
MW344.39 g/mol
LogP0.12
Rot. Bonds9

About 2-amino-N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]pentanamide

2-amino-N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]pentanamide (PubChem CID 119329237) has the molecular formula C13H20N4O5S and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-amino-N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]pentanamide
PubChem CID119329237
Molecular FormulaC13H20N4O5S
Molecular Weight344.39 g/mol
Exact Mass344.12
IUPAC Name2-amino-N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]pentanamide
SMILESCCCC(N)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H20N4O5S/c1-2-5-10(14)13(18)15-8-9-16-23(21,22)12-7-4-3-6-11(12)17(19)20/h3-4,6-7,10,16H,2,5,8-9,14H2,1H3,(H,15,18)
InChIKeyGICXBLRKGFZBLH-UHFFFAOYSA-N
XLogP0.12
TPSA144.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

3-amino-N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]propanamide;hydrochloride
CID 119329222
N-(2-methylpentyl)-2-nitrobenzenesulfonamide
CID 11380631
N-[2-(ethylamino)ethyl]-2-nitrobenzenesulfonamide;hydrochloride
CID 119973415
N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 33145151
N-(4-methylpentyl)-2-nitrobenzenesulfonamide
CID 3322272
2-nitro-N-[4-[(2-nitrophenyl)sulfonylamino]butyl]benzenesulfonamide
CID 3955828
N-(3-hydroxypropyl)-2-nitrobenzenesulfonamide
CID 4145930
ethyl 2-(2-nitrophenyl)sulfonylpentanoate
CID 83037327
ethyl (2S)-10-(methylamino)-2-[(2-nitrophenyl)sulfonylamino]decanoate
CID 59493498
N-(3-methyl-2-oxobut-3-enyl)-2-nitrobenzenesulfonamide
CID 71423746
2-nitro-N-[2-[(2-nitrophenyl)sulfonylamino]propyl]benzenesulfonamide
CID 3749746
(2S)-2-amino-N-[2-(ethylsulfamoyl)phenyl]pentanamide
CID 107568567

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]pentanamide?
The IUPAC name of 2-amino-N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]pentanamide (CID 119329237) is 2-amino-N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]pentanamide.
What is the SMILES notation for 2-amino-N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]pentanamide?
The canonical SMILES for 2-amino-N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]pentanamide is CCCC(N)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-amino-N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]pentanamide?
The InChIKey is GICXBLRKGFZBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O5S/c1-2-5-10(14)13(18)15-8-9-16-23(21,22)12-7-4-3-6-11(12)17(19)20/h3-4,6-7,10,16H,2,5,8-9,14H2,1H3,(H,15,18).
What are the key properties of 2-amino-N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]pentanamide?
2-amino-N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]pentanamide has a molecular weight of 344.39 g/mol, XLogP of 0.12, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]pentanamide is sourced from PubChem (CID 119329237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).