N-[4-[[[2-(diethylamino)-5-nitrophenyl]methylideneamino]sulfamoyl]phenyl]acetamide

C19H23N5O5S — CID 4914110

IUPACN-[4-[[[2-(diethylamino)-5-nitrophenyl]methylideneamino]sulfamoyl]phenyl]acetamide
SMILESCCN(CC)c1ccc([N+](=O)[O-])cc1C=NNS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C19H23N5O5S/c1-4-23(5-2)19-11-8-17(24(26)27)12-15(19)13-20-22-30(28,29)18-9-6-16(7-10-18)21-14(3)25/h6-13,22H,4-5H2,1-3H3,(H,21,25)
InChIKeyAGROXXUPRXDGHO-UHFFFAOYSA-N
MW433.49 g/mol
LogP2.71
Rot. Bonds9

About N-[4-[[[2-(diethylamino)-5-nitrophenyl]methylideneamino]sulfamoyl]phenyl]acetamide

N-[4-[[[2-(diethylamino)-5-nitrophenyl]methylideneamino]sulfamoyl]phenyl]acetamide (PubChem CID 4914110) has the molecular formula C19H23N5O5S and a molecular weight of 433.49 g/mol. Its IUPAC name is N-[4-[[[2-(diethylamino)-5-nitrophenyl]methylideneamino]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[[2-(diethylamino)-5-nitrophenyl]methylideneamino]sulfamoyl]phenyl]acetamide
PubChem CID4914110
Molecular FormulaC19H23N5O5S
Molecular Weight433.49 g/mol
Exact Mass433.14
IUPAC NameN-[4-[[[2-(diethylamino)-5-nitrophenyl]methylideneamino]sulfamoyl]phenyl]acetamide
SMILESCCN(CC)c1ccc([N+](=O)[O-])cc1C=NNS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C19H23N5O5S/c1-4-23(5-2)19-11-8-17(24(26)27)12-15(19)13-20-22-30(28,29)18-9-6-16(7-10-18)21-14(3)25/h6-13,22H,4-5H2,1-3H3,(H,21,25)
InChIKeyAGROXXUPRXDGHO-UHFFFAOYSA-N
XLogP2.71
TPSA134.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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

(NZ)-N-[[2-(diethylamino)-5-nitrophenyl]methylidene]hydroxylamine
CID 126012263
3-bromo-N-[[2-(diethylamino)-5-nitrophenyl]methylideneamino]benzamide
CID 4052966
N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzenesulfonamide
CID 3807440
4-fluoro-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzenesulfonamide
CID 135455609
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]benzenesulfonamide
CID 5414600
N-[4-[[(Z)-(2,3-dihydroxyphenyl)methylideneamino]sulfamoyl]phenyl]acetamide
CID 135958055
N-[4-[ethyl-(2-methoxy-5-nitrophenyl)sulfamoyl]phenyl]acetamide
CID 100500433
2-[(4-chlorophenyl)methylsulfanyl]-N-[(Z)-[2-(diethylamino)-5-nitrophenyl]methylideneamino]acetamide
CID 126002124
N-[4-[(E)-[[2-(diethylsulfamoyl)-4-nitrophenyl]hydrazinylidene]methyl]phenyl]acetamide
CID 42991076
2-(N-ethyl-2-formyl-4-nitroanilino)-N-methylacetamide
CID 61448850
4-acetamido-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 136662978
2-(dimethylamino)-N-[4-(methylsulfamoyl)phenyl]-5-nitrobenzamide
CID 9188395

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[2-(diethylamino)-5-nitrophenyl]methylideneamino]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[[2-(diethylamino)-5-nitrophenyl]methylideneamino]sulfamoyl]phenyl]acetamide (CID 4914110) is N-[4-[[[2-(diethylamino)-5-nitrophenyl]methylideneamino]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[[2-(diethylamino)-5-nitrophenyl]methylideneamino]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[[2-(diethylamino)-5-nitrophenyl]methylideneamino]sulfamoyl]phenyl]acetamide is CCN(CC)c1ccc([N+](=O)[O-])cc1C=NNS(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[[[2-(diethylamino)-5-nitrophenyl]methylideneamino]sulfamoyl]phenyl]acetamide?
The InChIKey is AGROXXUPRXDGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O5S/c1-4-23(5-2)19-11-8-17(24(26)27)12-15(19)13-20-22-30(28,29)18-9-6-16(7-10-18)21-14(3)25/h6-13,22H,4-5H2,1-3H3,(H,21,25).
What are the key properties of N-[4-[[[2-(diethylamino)-5-nitrophenyl]methylideneamino]sulfamoyl]phenyl]acetamide?
N-[4-[[[2-(diethylamino)-5-nitrophenyl]methylideneamino]sulfamoyl]phenyl]acetamide has a molecular weight of 433.49 g/mol, XLogP of 2.71, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[2-(diethylamino)-5-nitrophenyl]methylideneamino]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 4914110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).