2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide

C28H33N3O10S — CID 126117774

IUPAC2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)N/N=C\c2cc(OC)c(OC)c(OC)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C28H33N3O10S/c1-35-19-8-10-22(36-2)21(14-19)31(42(33,34)20-9-11-23(37-3)24(15-20)38-4)17-27(32)30-29-16-18-12-25(39-5)28(41-7)26(13-18)40-6/h8-16H,17H2,1-7H3,(H,30,32)/b29-16-
InChIKeyCIKHCJHHZRUHOL-MWLSYYOVSA-N
MW603.65 g/mol
LogP3.09
Rot. Bonds14

About 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide

2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide (PubChem CID 126117774) has the molecular formula C28H33N3O10S and a molecular weight of 603.65 g/mol. Its IUPAC name is 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
PubChem CID126117774
Molecular FormulaC28H33N3O10S
Molecular Weight603.65 g/mol
Exact Mass603.19
IUPAC Name2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)N/N=C\c2cc(OC)c(OC)c(OC)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C28H33N3O10S/c1-35-19-8-10-22(36-2)21(14-19)31(42(33,34)20-9-11-23(37-3)24(15-20)38-4)17-27(32)30-29-16-18-12-25(39-5)28(41-7)26(13-18)40-6/h8-16H,17H2,1-7H3,(H,30,32)/b29-16-
InChIKeyCIKHCJHHZRUHOL-MWLSYYOVSA-N
XLogP3.09
TPSA143.45 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.65
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]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

2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
CID 126127497
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide
CID 126115651
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(Z)-(4-phenoxyphenyl)methylideneamino]acetamide
CID 126131225
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide
CID 126146573
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135699605
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide
CID 126152599
[4-[(Z)-[[2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 126145030
[4-[(Z)-[[2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] methyl carbonate
CID 124535245
N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide
CID 126118158
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(Z)-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]acetamide
CID 126122771
N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)acetamide
CID 165366783
N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126190793

Frequently Asked Questions

What is the IUPAC name of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide (CID 126117774) is 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide is COc1ccc(OC)c(N(CC(=O)N/N=C\c2cc(OC)c(OC)c(OC)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1.
What is the InChIKey of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide?
The InChIKey is CIKHCJHHZRUHOL-MWLSYYOVSA-N. The full InChI is InChI=1S/C28H33N3O10S/c1-35-19-8-10-22(36-2)21(14-19)31(42(33,34)20-9-11-23(37-3)24(15-20)38-4)17-27(32)30-29-16-18-12-25(39-5)28(41-7)26(13-18)40-6/h8-16H,17H2,1-7H3,(H,30,32)/b29-16-.
What are the key properties of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide?
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide has a molecular weight of 603.65 g/mol, XLogP of 3.09, 14 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 126117774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).