4-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]sulfamoyl]benzamide

C18H21N3O6S — CID 55447326

IUPAC4-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]sulfamoyl]benzamide
SMILESCOc1cc(C(=O)NNS(=O)(=O)c2ccc(C(N)=O)cc2)ccc1OC(C)C
InChIInChI=1S/C18H21N3O6S/c1-11(2)27-15-9-6-13(10-16(15)26-3)18(23)20-21-28(24,25)14-7-4-12(5-8-14)17(19)22/h4-11,21H,1-3H3,(H2,19,22)(H,20,23)
InChIKeyHPMZENAJRMXTOY-UHFFFAOYSA-N
MW407.45 g/mol
LogP1.20
Rot. Bonds8

About 4-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]sulfamoyl]benzamide

4-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]sulfamoyl]benzamide (PubChem CID 55447326) has the molecular formula C18H21N3O6S and a molecular weight of 407.45 g/mol. Its IUPAC name is 4-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]sulfamoyl]benzamide.

Molecular Properties

Compound Name4-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]sulfamoyl]benzamide
PubChem CID55447326
Molecular FormulaC18H21N3O6S
Molecular Weight407.45 g/mol
Exact Mass407.12
IUPAC Name4-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]sulfamoyl]benzamide
SMILESCOc1cc(C(=O)NNS(=O)(=O)c2ccc(C(N)=O)cc2)ccc1OC(C)C
InChIInChI=1S/C18H21N3O6S/c1-11(2)27-15-9-6-13(10-16(15)26-3)18(23)20-21-28(24,25)14-7-4-12(5-8-14)17(19)22/h4-11,21H,1-3H3,(H2,19,22)(H,20,23)
InChIKeyHPMZENAJRMXTOY-UHFFFAOYSA-N
XLogP1.20
TPSA136.82 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 ≤ 51.20
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'-(4-cyanophenyl)sulfonyl-3,4-dimethoxybenzohydrazide
CID 8523714
N'-acetyl-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 46656614
3,4-dimethoxy-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzohydrazide
CID 8523716
4-ethoxy-N'-(4-ethylphenyl)sulfonyl-3-methoxybenzohydrazide
CID 9238646
N'-[4-(difluoromethoxy)benzoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 26655758
3,4,5-trimethoxy-N'-(4-propan-2-ylphenyl)sulfonylbenzohydrazide
CID 8523659
3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propan-2-yloxybenzohydrazide
CID 8621899
3-methoxy-N'-(3-methylbenzoyl)-4-propan-2-yloxybenzohydrazide
CID 26655769
3-chloro-N'-(3,4-dimethoxyphenyl)sulfonylbenzohydrazide
CID 8616663
N-[4-(benzenesulfonamidocarbamoyl)phenyl]-3,4-dimethoxybenzenesulfonamide
CID 90786253
2,3,4-trimethoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide
CID 7972045
4-[[(4-propan-2-yloxybenzoyl)amino]sulfamoyl]benzoic acid
CID 45477229

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]sulfamoyl]benzamide?
The IUPAC name of 4-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]sulfamoyl]benzamide (CID 55447326) is 4-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]sulfamoyl]benzamide.
What is the SMILES notation for 4-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]sulfamoyl]benzamide?
The canonical SMILES for 4-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]sulfamoyl]benzamide is COc1cc(C(=O)NNS(=O)(=O)c2ccc(C(N)=O)cc2)ccc1OC(C)C.
What is the InChIKey of 4-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]sulfamoyl]benzamide?
The InChIKey is HPMZENAJRMXTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O6S/c1-11(2)27-15-9-6-13(10-16(15)26-3)18(23)20-21-28(24,25)14-7-4-12(5-8-14)17(19)22/h4-11,21H,1-3H3,(H2,19,22)(H,20,23).
What are the key properties of 4-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]sulfamoyl]benzamide?
4-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]sulfamoyl]benzamide has a molecular weight of 407.45 g/mol, XLogP of 1.20, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]sulfamoyl]benzamide is sourced from PubChem (CID 55447326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).