N-(2-aminoethyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide

C11H16N4O5S — CID 119382683

IUPACN-(2-aminoethyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
SMILESNCCNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H16N4O5S/c12-6-8-13-11(16)5-7-14-21(19,20)10-3-1-9(2-4-10)15(17)18/h1-4,14H,5-8,12H2,(H,13,16)
InChIKeyRXEHMTLHFRDTOM-UHFFFAOYSA-N
MW316.34 g/mol
LogP-0.66
Rot. Bonds8

About N-(2-aminoethyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide

N-(2-aminoethyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide (PubChem CID 119382683) has the molecular formula C11H16N4O5S and a molecular weight of 316.34 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
PubChem CID119382683
Molecular FormulaC11H16N4O5S
Molecular Weight316.34 g/mol
Exact Mass316.08
IUPAC NameN-(2-aminoethyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
SMILESNCCNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H16N4O5S/c12-6-8-13-11(16)5-7-14-21(19,20)10-3-1-9(2-4-10)15(17)18/h1-4,14H,5-8,12H2,(H,13,16)
InChIKeyRXEHMTLHFRDTOM-UHFFFAOYSA-N
XLogP-0.66
TPSA144.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(2-aminoethyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]propanamide;hydrochloride
CID 119305416
4-amino-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]butanamide;hydrochloride
CID 119305436
N-[3-(methylamino)propyl]-3-[(4-nitrophenyl)sulfonylamino]propanamide;hydrochloride
CID 119430375
3-[(4-nitrophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide
CID 17192905
N-tert-butyl-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192795
3-[(4-nitrophenyl)sulfonylamino]-N-(2-piperazin-1-ylethyl)propanamide
CID 119445662
4-(methylamino)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]butanamide;hydrochloride
CID 119752364
3-[(4-nitrophenyl)sulfonylamino]-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391413
N-(4-iodophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192861
3-[(4-methylphenyl)sulfonylamino]-N-(4-nitrophenyl)propanamide
CID 4181109
3-[(4-nitrophenyl)sulfonylamino]-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119555842
3-[(4-nitrophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 17192801

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide?
The IUPAC name of N-(2-aminoethyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide (CID 119382683) is N-(2-aminoethyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(2-aminoethyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(2-aminoethyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide is NCCNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2-aminoethyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide?
The InChIKey is RXEHMTLHFRDTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O5S/c12-6-8-13-11(16)5-7-14-21(19,20)10-3-1-9(2-4-10)15(17)18/h1-4,14H,5-8,12H2,(H,13,16).
What are the key properties of N-(2-aminoethyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide?
N-(2-aminoethyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide has a molecular weight of 316.34 g/mol, XLogP of -0.66, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 119382683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).