N-[3-(4-nitroanilino)propyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide

C19H25N5O5S — CID 17066812

IUPACN-[3-(4-nitroanilino)propyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
SMILESNS(=O)(=O)c1ccc(CCNCC(=O)NCCCNc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C19H25N5O5S/c20-30(28,29)18-8-2-15(3-9-18)10-13-21-14-19(25)23-12-1-11-22-16-4-6-17(7-5-16)24(26)27/h2-9,21-22H,1,10-14H2,(H,23,25)(H2,20,28,29)
InChIKeyUGQXWYZDSHCJLZ-UHFFFAOYSA-N
MW435.51 g/mol
LogP0.99
Rot. Bonds12

About N-[3-(4-nitroanilino)propyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide

N-[3-(4-nitroanilino)propyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide (PubChem CID 17066812) has the molecular formula C19H25N5O5S and a molecular weight of 435.51 g/mol. Its IUPAC name is N-[3-(4-nitroanilino)propyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide.

Molecular Properties

Compound NameN-[3-(4-nitroanilino)propyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
PubChem CID17066812
Molecular FormulaC19H25N5O5S
Molecular Weight435.51 g/mol
Exact Mass435.16
IUPAC NameN-[3-(4-nitroanilino)propyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
SMILESNS(=O)(=O)c1ccc(CCNCC(=O)NCCCNc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C19H25N5O5S/c20-30(28,29)18-8-2-15(3-9-18)10-13-21-14-19(25)23-12-1-11-22-16-4-6-17(7-5-16)24(26)27/h2-9,21-22H,1,10-14H2,(H,23,25)(H2,20,28,29)
InChIKeyUGQXWYZDSHCJLZ-UHFFFAOYSA-N
XLogP0.99
TPSA156.46 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 50.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

N-pentyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002541
4-[2-[(4-nitrophenyl)methylamino]ethyl]benzenesulfonamide
CID 4718991
N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002532
2-[3-(4-nitroanilino)propylamino]-N-(4-nitrophenyl)acetamide
CID 3610895
N-(4-tert-butylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002567
N-[3-(4-nitroanilino)propyl]acetamide
CID 2885784
N-(3-methylbutan-2-yl)-2-[2-(4-nitrophenyl)ethylamino]acetamide
CID 61489263
3-(4-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 109027623
N-(3-aminopropyl)-4-(4-nitroanilino)butanamide;hydrochloride
CID 119407663
2-(methylamino)-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 61219292
2-amino-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 61218715
N-(3-chloro-4-methylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002575

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-nitroanilino)propyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide?
The IUPAC name of N-[3-(4-nitroanilino)propyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide (CID 17066812) is N-[3-(4-nitroanilino)propyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide.
What is the SMILES notation for N-[3-(4-nitroanilino)propyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide?
The canonical SMILES for N-[3-(4-nitroanilino)propyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide is NS(=O)(=O)c1ccc(CCNCC(=O)NCCCNc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-[3-(4-nitroanilino)propyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide?
The InChIKey is UGQXWYZDSHCJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O5S/c20-30(28,29)18-8-2-15(3-9-18)10-13-21-14-19(25)23-12-1-11-22-16-4-6-17(7-5-16)24(26)27/h2-9,21-22H,1,10-14H2,(H,23,25)(H2,20,28,29).
What are the key properties of N-[3-(4-nitroanilino)propyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide?
N-[3-(4-nitroanilino)propyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide has a molecular weight of 435.51 g/mol, XLogP of 0.99, 12 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-nitroanilino)propyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide is sourced from PubChem (CID 17066812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).