2-(diethylamino)-N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]-2-phenylacetamide

C20H26N4O5S — CID 56552597

IUPAC2-(diethylamino)-N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]-2-phenylacetamide
SMILESCCN(CC)C(C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1
InChIInChI=1S/C20H26N4O5S/c1-3-23(4-2)19(16-9-6-5-7-10-16)20(25)21-13-14-22-30(28,29)18-12-8-11-17(15-18)24(26)27/h5-12,15,19,22H,3-4,13-14H2,1-2H3,(H,21,25)
InChIKeyKABFQCRSUOREKS-UHFFFAOYSA-N
MW434.52 g/mol
LogP2.07
Rot. Bonds11

About 2-(diethylamino)-N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]-2-phenylacetamide

2-(diethylamino)-N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]-2-phenylacetamide (PubChem CID 56552597) has the molecular formula C20H26N4O5S and a molecular weight of 434.52 g/mol. Its IUPAC name is 2-(diethylamino)-N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]-2-phenylacetamide
PubChem CID56552597
Molecular FormulaC20H26N4O5S
Molecular Weight434.52 g/mol
Exact Mass434.16
IUPAC Name2-(diethylamino)-N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]-2-phenylacetamide
SMILESCCN(CC)C(C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1
InChIInChI=1S/C20H26N4O5S/c1-3-23(4-2)19(16-9-6-5-7-10-16)20(25)21-13-14-22-30(28,29)18-12-8-11-17(15-18)24(26)27/h5-12,15,19,22H,3-4,13-14H2,1-2H3,(H,21,25)
InChIKeyKABFQCRSUOREKS-UHFFFAOYSA-N
XLogP2.07
TPSA121.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 52.07
H-Bond Donors ≤ 52
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

2-methyl-1-[2-[(3-nitrophenyl)sulfonylamino]ethyl]-3-(2-phenylpropyl)guanidine
CID 111342455
N-(5-hydroxy-3-phenylpentyl)-3-nitrobenzenesulfonamide
CID 121112304
4-methylsulfonyl-N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]benzamide
CID 55542230
N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]-3-phenylthiophene-2-carboxamide
CID 60593082
1-benzyl-1,2-dimethyl-3-[2-[(3-nitrophenyl)sulfonylamino]ethyl]guanidine
CID 110950742
2-benzyl-1,1-dimethyl-3-[2-[(3-nitrophenyl)sulfonylamino]ethyl]guanidine;hydroiodide
CID 111085284
2-methyl-1-[2-[(3-nitrophenyl)sulfonylamino]ethyl]-3-(4-phenylbutan-2-yl)guanidine;hydroiodide
CID 111172010
3-nitro-N-(2-phenylsulfanylethyl)benzenesulfonamide
CID 2966893
1-ethyl-2-[(2-methylphenyl)methyl]-3-[2-[(3-nitrophenyl)sulfonylamino]ethyl]guanidine;hydroiodide
CID 111359375
3-nitro-N-octylbenzenesulfonamide
CID 19681347
[(1S)-1-(3-nitrophenyl)ethyl] 3-(benzenesulfonamido)propanoate
CID 8879908
2-methyl-1-[2-[(3-nitrophenyl)sulfonylamino]ethyl]-3-(2-phenoxyethyl)guanidine
CID 111005093

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]-2-phenylacetamide?
The IUPAC name of 2-(diethylamino)-N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]-2-phenylacetamide (CID 56552597) is 2-(diethylamino)-N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]-2-phenylacetamide.
What is the SMILES notation for 2-(diethylamino)-N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]-2-phenylacetamide?
The canonical SMILES for 2-(diethylamino)-N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]-2-phenylacetamide is CCN(CC)C(C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1.
What is the InChIKey of 2-(diethylamino)-N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]-2-phenylacetamide?
The InChIKey is KABFQCRSUOREKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O5S/c1-3-23(4-2)19(16-9-6-5-7-10-16)20(25)21-13-14-22-30(28,29)18-12-8-11-17(15-18)24(26)27/h5-12,15,19,22H,3-4,13-14H2,1-2H3,(H,21,25).
What are the key properties of 2-(diethylamino)-N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]-2-phenylacetamide?
2-(diethylamino)-N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]-2-phenylacetamide has a molecular weight of 434.52 g/mol, XLogP of 2.07, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]-2-phenylacetamide is sourced from PubChem (CID 56552597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).