N-[[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]methylideneamino]-4-chloro-3-sulfamoylbenzamide

C17H17ClN4O6S — CID 2558023

IUPACN-[[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]methylideneamino]-4-chloro-3-sulfamoylbenzamide
SMILESCOc1ccc(C=NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1OCC(N)=O
InChIInChI=1S/C17H17ClN4O6S/c1-27-13-5-2-10(6-14(13)28-9-16(19)23)8-21-22-17(24)11-3-4-12(18)15(7-11)29(20,25)26/h2-8H,9H2,1H3,(H2,19,23)(H,22,24)(H2,20,25,26)
InChIKeyMTEZGSULLAPJRO-UHFFFAOYSA-N
MW440.87 g/mol
LogP0.62
Rot. Bonds8

About N-[[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]methylideneamino]-4-chloro-3-sulfamoylbenzamide

N-[[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]methylideneamino]-4-chloro-3-sulfamoylbenzamide (PubChem CID 2558023) has the molecular formula C17H17ClN4O6S and a molecular weight of 440.87 g/mol. Its IUPAC name is N-[[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]methylideneamino]-4-chloro-3-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]methylideneamino]-4-chloro-3-sulfamoylbenzamide
PubChem CID2558023
Molecular FormulaC17H17ClN4O6S
Molecular Weight440.87 g/mol
Exact Mass440.06
IUPAC NameN-[[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]methylideneamino]-4-chloro-3-sulfamoylbenzamide
SMILESCOc1ccc(C=NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1OCC(N)=O
InChIInChI=1S/C17H17ClN4O6S/c1-27-13-5-2-10(6-14(13)28-9-16(19)23)8-21-22-17(24)11-3-4-12(18)15(7-11)29(20,25)26/h2-8H,9H2,1H3,(H2,19,23)(H,22,24)(H2,20,25,26)
InChIKeyMTEZGSULLAPJRO-UHFFFAOYSA-N
XLogP0.62
TPSA163.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.87
LogP ≤ 50.62
H-Bond Donors ≤ 53
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

4-chloro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-sulfamoylbenzamide
CID 135582522
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide
CID 126324627
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 689512
N-[(E)-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylideneamino]-3-methoxy-4-propoxybenzamide
CID 126343051
N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 126333569
ethyl 2-[5-[(E)-[(3-chlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetate
CID 126208707
2-[2-methoxy-5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]phenoxy]acetamide
CID 4840746
N-[(E)-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylideneamino]-4-bromobenzamide
CID 126271574
2-[2-chloro-4-[[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetamide
CID 5133040
N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-ethoxy-4-methoxybenzamide
CID 137160364
N'-[(E)-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-N-(3,4-dichlorophenyl)oxamide
CID 19658472
N-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxy-4-propoxybenzamide
CID 126322296

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]methylideneamino]-4-chloro-3-sulfamoylbenzamide?
The IUPAC name of N-[[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]methylideneamino]-4-chloro-3-sulfamoylbenzamide (CID 2558023) is N-[[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]methylideneamino]-4-chloro-3-sulfamoylbenzamide.
What is the SMILES notation for N-[[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]methylideneamino]-4-chloro-3-sulfamoylbenzamide?
The canonical SMILES for N-[[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]methylideneamino]-4-chloro-3-sulfamoylbenzamide is COc1ccc(C=NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1OCC(N)=O.
What is the InChIKey of N-[[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]methylideneamino]-4-chloro-3-sulfamoylbenzamide?
The InChIKey is MTEZGSULLAPJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O6S/c1-27-13-5-2-10(6-14(13)28-9-16(19)23)8-21-22-17(24)11-3-4-12(18)15(7-11)29(20,25)26/h2-8H,9H2,1H3,(H2,19,23)(H,22,24)(H2,20,25,26).
What are the key properties of N-[[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]methylideneamino]-4-chloro-3-sulfamoylbenzamide?
N-[[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]methylideneamino]-4-chloro-3-sulfamoylbenzamide has a molecular weight of 440.87 g/mol, XLogP of 0.62, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]methylideneamino]-4-chloro-3-sulfamoylbenzamide is sourced from PubChem (CID 2558023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).