N-(cyclododecylideneamino)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide

C26H34N4O5S — CID 2854777

IUPACN-(cyclododecylideneamino)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
SMILESO=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NN=C1CCCCCCCCCCC1
InChIInChI=1S/C26H34N4O5S/c31-26(28-27-22-15-9-6-4-2-1-3-5-7-10-16-22)21-29(23-17-11-8-12-18-23)36(34,35)25-20-14-13-19-24(25)30(32)33/h8,11-14,17-20H,1-7,9-10,15-16,21H2,(H,28,31)
InChIKeyOTAQUJBAQFKPIV-UHFFFAOYSA-N
MW514.65 g/mol
LogP5.57
Rot. Bonds7

About N-(cyclododecylideneamino)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide

N-(cyclododecylideneamino)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide (PubChem CID 2854777) has the molecular formula C26H34N4O5S and a molecular weight of 514.65 g/mol. Its IUPAC name is N-(cyclododecylideneamino)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(cyclododecylideneamino)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
PubChem CID2854777
Molecular FormulaC26H34N4O5S
Molecular Weight514.65 g/mol
Exact Mass514.22
IUPAC NameN-(cyclododecylideneamino)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
SMILESO=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NN=C1CCCCCCCCCCC1
InChIInChI=1S/C26H34N4O5S/c31-26(28-27-22-15-9-6-4-2-1-3-5-7-10-16-22)21-29(23-17-11-8-12-18-23)36(34,35)25-20-14-13-19-24(25)30(32)33/h8,11-14,17-20H,1-7,9-10,15-16,21H2,(H,28,31)
InChIKeyOTAQUJBAQFKPIV-UHFFFAOYSA-N
XLogP5.57
TPSA121.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.65
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(cyclododecylideneamino)-2-(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

N-(cyclohexylideneamino)-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 28588789
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(cyclododecylideneamino)acetamide
CID 126034636
N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 28588758
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 43879296
N-[2-(cyclohexen-1-yl)ethyl]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 126032316
4-[(Z)-[[2-(N-(2-nitrophenyl)sulfonylanilino)acetyl]hydrazinylidene]methyl]benzoic acid
CID 28588777
N-(2,6-difluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 2209477
N,N-diethyl-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 30173681
N-(cyclooctylideneamino)-2-(N-methylsulfonyl-3-nitroanilino)acetamide
CID 126031778
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(cyclopentylideneamino)acetamide
CID 126139179
N-[1-(3-bromophenyl)ethylideneamino]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 4666294
4-[[2-(N-(2-nitrophenyl)sulfonylanilino)acetyl]amino]benzamide
CID 51345106

Frequently Asked Questions

What is the IUPAC name of N-(cyclododecylideneamino)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide?
The IUPAC name of N-(cyclododecylideneamino)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide (CID 2854777) is N-(cyclododecylideneamino)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(cyclododecylideneamino)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-(cyclododecylideneamino)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide is O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NN=C1CCCCCCCCCCC1.
What is the InChIKey of N-(cyclododecylideneamino)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide?
The InChIKey is OTAQUJBAQFKPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O5S/c31-26(28-27-22-15-9-6-4-2-1-3-5-7-10-16-22)21-29(23-17-11-8-12-18-23)36(34,35)25-20-14-13-19-24(25)30(32)33/h8,11-14,17-20H,1-7,9-10,15-16,21H2,(H,28,31).
What are the key properties of N-(cyclododecylideneamino)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide?
N-(cyclododecylideneamino)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide has a molecular weight of 514.65 g/mol, XLogP of 5.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclododecylideneamino)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 2854777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).