2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide

C26H28ClN3O6S — CID 126123028

IUPAC2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide
SMILESCC/C(=N/NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C26H28ClN3O6S/c1-5-23(18-9-14-24(35-3)25(15-18)36-4)28-29-26(31)17-30(20-8-6-7-19(27)16-20)37(32,33)22-12-10-21(34-2)11-13-22/h6-16H,5,17H2,1-4H3,(H,29,31)/b28-23-
InChIKeyONLNTUKILYFXCF-NFFVHWSESA-N
MW546.05 g/mol
LogP4.49
Rot. Bonds11

About 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide

2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide (PubChem CID 126123028) has the molecular formula C26H28ClN3O6S and a molecular weight of 546.05 g/mol. Its IUPAC name is 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide
PubChem CID126123028
Molecular FormulaC26H28ClN3O6S
Molecular Weight546.05 g/mol
Exact Mass545.14
IUPAC Name2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide
SMILESCC/C(=N/NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C26H28ClN3O6S/c1-5-23(18-9-14-24(35-3)25(15-18)36-4)28-29-26(31)17-30(20-8-6-7-19(27)16-20)37(32,33)22-12-10-21(34-2)11-13-22/h6-16H,5,17H2,1-4H3,(H,29,31)/b28-23-
InChIKeyONLNTUKILYFXCF-NFFVHWSESA-N
XLogP4.49
TPSA106.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.05
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(propan-2-ylideneamino)acetamide
CID 126126072
N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 21212195
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide
CID 126149335
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 126182772
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide
CID 6020021
methyl 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetate
CID 27014139
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]acetamide
CID 126122743
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(cyclooctylideneamino)acetamide
CID 126118023
N-tert-butyl-2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 53280450
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 126131461
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126033421
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(propan-2-ylideneamino)acetamide
CID 126034155

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide?
The IUPAC name of 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide (CID 126123028) is 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide.
What is the SMILES notation for 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide?
The canonical SMILES for 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide is CC/C(=N/NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1)c1ccc(OC)c(OC)c1.
What is the InChIKey of 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide?
The InChIKey is ONLNTUKILYFXCF-NFFVHWSESA-N. The full InChI is InChI=1S/C26H28ClN3O6S/c1-5-23(18-9-14-24(35-3)25(15-18)36-4)28-29-26(31)17-30(20-8-6-7-19(27)16-20)37(32,33)22-12-10-21(34-2)11-13-22/h6-16H,5,17H2,1-4H3,(H,29,31)/b28-23-.
What are the key properties of 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide?
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide has a molecular weight of 546.05 g/mol, XLogP of 4.49, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide is sourced from PubChem (CID 126123028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).