N-[(Z)-anthracen-9-ylmethylideneamino]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide

C30H23Cl2N3O3S — CID 98061924

IUPACN-[(Z)-anthracen-9-ylmethylideneamino]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2c3ccccc3cc3ccccc23)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C30H23Cl2N3O3S/c1-20-10-12-26(13-11-20)39(37,38)35(25-16-23(31)15-24(32)17-25)19-30(36)34-33-18-29-27-8-4-2-6-21(27)14-22-7-3-5-9-28(22)29/h2-18H,19H2,1H3,(H,34,36)/b33-18-
InChIKeySXMSDRRWZKBPHX-OHUYPAJKSA-N
MW576.51 g/mol
LogP6.95
Rot. Bonds7

About N-[(Z)-anthracen-9-ylmethylideneamino]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide

N-[(Z)-anthracen-9-ylmethylideneamino]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 98061924) has the molecular formula C30H23Cl2N3O3S and a molecular weight of 576.51 g/mol. Its IUPAC name is N-[(Z)-anthracen-9-ylmethylideneamino]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(Z)-anthracen-9-ylmethylideneamino]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID98061924
Molecular FormulaC30H23Cl2N3O3S
Molecular Weight576.51 g/mol
Exact Mass575.08
IUPAC NameN-[(Z)-anthracen-9-ylmethylideneamino]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2c3ccccc3cc3ccccc23)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C30H23Cl2N3O3S/c1-20-10-12-26(13-11-20)39(37,38)35(25-16-23(31)15-24(32)17-25)19-30(36)34-33-18-29-27-8-4-2-6-21(27)14-22-7-3-5-9-28(22)29/h2-18H,19H2,1H3,(H,34,36)/b33-18-
InChIKeySXMSDRRWZKBPHX-OHUYPAJKSA-N
XLogP6.95
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.51
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-[(Z)-anthracen-9-ylmethylideneamino]-2-(3,5-dichloro-N-(4-methylphenyl)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-[(Z)-(2-chlorophenyl)methylideneamino]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 92644376
N-(anthracen-9-ylmethylideneamino)-2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 3610498
2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide
CID 92644372
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 137107827
N-[(E)-anthracen-9-ylmethylideneamino]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 43882345
2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 137107508
N-[(Z)-(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 98056049
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetamide
CID 92644228
2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(naphthalen-1-ylmethylideneamino)acetamide
CID 5008415
N-(anthracen-9-ylmethylideneamino)-2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]acetamide
CID 3829929
N-[(E)-anthracen-9-ylmethylideneamino]-2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 43878954
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 137107675

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-anthracen-9-ylmethylideneamino]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-[(Z)-anthracen-9-ylmethylideneamino]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 98061924) is N-[(Z)-anthracen-9-ylmethylideneamino]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-[(Z)-anthracen-9-ylmethylideneamino]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-[(Z)-anthracen-9-ylmethylideneamino]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2c3ccccc3cc3ccccc23)c2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of N-[(Z)-anthracen-9-ylmethylideneamino]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is SXMSDRRWZKBPHX-OHUYPAJKSA-N. The full InChI is InChI=1S/C30H23Cl2N3O3S/c1-20-10-12-26(13-11-20)39(37,38)35(25-16-23(31)15-24(32)17-25)19-30(36)34-33-18-29-27-8-4-2-6-21(27)14-22-7-3-5-9-28(22)29/h2-18H,19H2,1H3,(H,34,36)/b33-18-.
What are the key properties of N-[(Z)-anthracen-9-ylmethylideneamino]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-[(Z)-anthracen-9-ylmethylideneamino]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 576.51 g/mol, XLogP of 6.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-anthracen-9-ylmethylideneamino]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 98061924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).