N-[2-methoxy-4-[[[2-(3-methylphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide

C18H21N3O6S — CID 8505793

IUPACN-[2-methoxy-4-[[[2-(3-methylphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide
SMILESCOc1cc(S(=O)(=O)NNC(=O)COc2cccc(C)c2)ccc1NC(C)=O
InChIInChI=1S/C18H21N3O6S/c1-12-5-4-6-14(9-12)27-11-18(23)20-21-28(24,25)15-7-8-16(19-13(2)22)17(10-15)26-3/h4-10,21H,11H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyMKAJRIXJGZHZEB-UHFFFAOYSA-N
MW407.45 g/mol
LogP1.35
Rot. Bonds8

About N-[2-methoxy-4-[[[2-(3-methylphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide

N-[2-methoxy-4-[[[2-(3-methylphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide (PubChem CID 8505793) has the molecular formula C18H21N3O6S and a molecular weight of 407.45 g/mol. Its IUPAC name is N-[2-methoxy-4-[[[2-(3-methylphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methoxy-4-[[[2-(3-methylphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide
PubChem CID8505793
Molecular FormulaC18H21N3O6S
Molecular Weight407.45 g/mol
Exact Mass407.12
IUPAC NameN-[2-methoxy-4-[[[2-(3-methylphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide
SMILESCOc1cc(S(=O)(=O)NNC(=O)COc2cccc(C)c2)ccc1NC(C)=O
InChIInChI=1S/C18H21N3O6S/c1-12-5-4-6-14(9-12)27-11-18(23)20-21-28(24,25)15-7-8-16(19-13(2)22)17(10-15)26-3/h4-10,21H,11H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyMKAJRIXJGZHZEB-UHFFFAOYSA-N
XLogP1.35
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-fluorophenyl)sulfonyl-2-(3-methylphenoxy)acetohydrazide
CID 8505734
N-(4,5-dimethoxy-2-methylphenyl)-2-(3-methylphenoxy)acetamide
CID 26209437
2-(3,5-dimethylphenoxy)-N'-(2-methoxy-5-methylphenyl)sulfonylacetohydrazide
CID 8515553
2-(4-tert-butylphenoxy)-N'-(3,4-dimethoxyphenyl)sulfonylacetohydrazide
CID 8505175
N-[4-[[[2-(2-methoxyphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide
CID 8506456
N'-(5-bromothiophen-2-yl)sulfonyl-2-(3-methylphenoxy)acetohydrazide
CID 8505825
N'-(2,5-dichlorophenyl)sulfonyl-2-(3-methylphenoxy)acetohydrazide
CID 8505751
N-(2-ethoxy-4-methylphenyl)-2-(3-methylphenoxy)acetamide
CID 87027069
2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-methylacetamide
CID 9302272
methyl 3-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-3-oxopropanoate
CID 28638195
2-(3-fluorophenoxy)-N'-(3-fluorophenyl)sulfonylacetohydrazide
CID 8505982
[2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 7853568

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-[[[2-(3-methylphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[2-methoxy-4-[[[2-(3-methylphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide (CID 8505793) is N-[2-methoxy-4-[[[2-(3-methylphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[2-methoxy-4-[[[2-(3-methylphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[2-methoxy-4-[[[2-(3-methylphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide is COc1cc(S(=O)(=O)NNC(=O)COc2cccc(C)c2)ccc1NC(C)=O.
What is the InChIKey of N-[2-methoxy-4-[[[2-(3-methylphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide?
The InChIKey is MKAJRIXJGZHZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O6S/c1-12-5-4-6-14(9-12)27-11-18(23)20-21-28(24,25)15-7-8-16(19-13(2)22)17(10-15)26-3/h4-10,21H,11H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of N-[2-methoxy-4-[[[2-(3-methylphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide?
N-[2-methoxy-4-[[[2-(3-methylphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide has a molecular weight of 407.45 g/mol, XLogP of 1.35, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-[[[2-(3-methylphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 8505793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).