N-(cyclohexylideneamino)-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetamide

C22H26N4O7S — CID 28588789

IUPACN-(cyclohexylideneamino)-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(N(CC(=O)NN=C2CCCCC2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1
InChIInChI=1S/C22H26N4O7S/c1-32-17-12-13-18(20(14-17)33-2)25(15-22(27)24-23-16-8-4-3-5-9-16)34(30,31)21-11-7-6-10-19(21)26(28)29/h6-7,10-14H,3-5,8-9,15H2,1-2H3,(H,24,27)
InChIKeyZVFBGTMJXCZNAO-UHFFFAOYSA-N
MW490.54 g/mol
LogP3.24
Rot. Bonds9

About N-(cyclohexylideneamino)-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetamide

N-(cyclohexylideneamino)-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetamide (PubChem CID 28588789) has the molecular formula C22H26N4O7S and a molecular weight of 490.54 g/mol. Its IUPAC name is N-(cyclohexylideneamino)-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(cyclohexylideneamino)-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetamide
PubChem CID28588789
Molecular FormulaC22H26N4O7S
Molecular Weight490.54 g/mol
Exact Mass490.15
IUPAC NameN-(cyclohexylideneamino)-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(N(CC(=O)NN=C2CCCCC2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1
InChIInChI=1S/C22H26N4O7S/c1-32-17-12-13-18(20(14-17)33-2)25(15-22(27)24-23-16-8-4-3-5-9-16)34(30,31)21-11-7-6-10-19(21)26(28)29/h6-7,10-14H,3-5,8-9,15H2,1-2H3,(H,24,27)
InChIKeyZVFBGTMJXCZNAO-UHFFFAOYSA-N
XLogP3.24
TPSA140.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.54
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(cyclohexylideneamino)-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetamide 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

methyl 2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetate
CID 997555
2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)-N-[2-[[2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetyl]amino]ethyl]acetamide
CID 43891797
N-(cyclododecylideneamino)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 2854777
2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)-N-[2-[[2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetyl]amino]propyl]acetamide
CID 43891798
N-benzyl-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 997499
N-[(2R)-butan-2-yl]-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 40631968
2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)-N-(4-methylphenyl)acetamide
CID 997549
N-(2-tert-butylsulfanylethyl)-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 3467263
N-(4-bromophenyl)-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 43891779
2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 43879345
N-[(E)-(3-chlorophenyl)methylideneamino]-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 43879319
2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 26771886

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylideneamino)-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetamide?
The IUPAC name of N-(cyclohexylideneamino)-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetamide (CID 28588789) is N-(cyclohexylideneamino)-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(cyclohexylideneamino)-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-(cyclohexylideneamino)-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetamide is COc1ccc(N(CC(=O)NN=C2CCCCC2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1.
What is the InChIKey of N-(cyclohexylideneamino)-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetamide?
The InChIKey is ZVFBGTMJXCZNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O7S/c1-32-17-12-13-18(20(14-17)33-2)25(15-22(27)24-23-16-8-4-3-5-9-16)34(30,31)21-11-7-6-10-19(21)26(28)29/h6-7,10-14H,3-5,8-9,15H2,1-2H3,(H,24,27).
What are the key properties of N-(cyclohexylideneamino)-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetamide?
N-(cyclohexylideneamino)-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetamide has a molecular weight of 490.54 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylideneamino)-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 28588789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).