4-methoxy-3-[[(4-propan-2-yloxybenzoyl)amino]carbamoyl]benzenesulfonamide

C18H21N3O6S — CID 27644258

IUPAC4-methoxy-3-[[(4-propan-2-yloxybenzoyl)amino]carbamoyl]benzenesulfonamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)NNC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C18H21N3O6S/c1-11(2)27-13-6-4-12(5-7-13)17(22)20-21-18(23)15-10-14(28(19,24)25)8-9-16(15)26-3/h4-11H,1-3H3,(H,20,22)(H,21,23)(H2,19,24,25)
InChIKeyNKYBCUDTKHMWBA-UHFFFAOYSA-N
MW407.45 g/mol
LogP1.20
Rot. Bonds6

About 4-methoxy-3-[[(4-propan-2-yloxybenzoyl)amino]carbamoyl]benzenesulfonamide

4-methoxy-3-[[(4-propan-2-yloxybenzoyl)amino]carbamoyl]benzenesulfonamide (PubChem CID 27644258) has the molecular formula C18H21N3O6S and a molecular weight of 407.45 g/mol. Its IUPAC name is 4-methoxy-3-[[(4-propan-2-yloxybenzoyl)amino]carbamoyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-[[(4-propan-2-yloxybenzoyl)amino]carbamoyl]benzenesulfonamide
PubChem CID27644258
Molecular FormulaC18H21N3O6S
Molecular Weight407.45 g/mol
Exact Mass407.12
IUPAC Name4-methoxy-3-[[(4-propan-2-yloxybenzoyl)amino]carbamoyl]benzenesulfonamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)NNC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C18H21N3O6S/c1-11(2)27-13-6-4-12(5-7-13)17(22)20-21-18(23)15-10-14(28(19,24)25)8-9-16(15)26-3/h4-11H,1-3H3,(H,20,22)(H,21,23)(H2,19,24,25)
InChIKeyNKYBCUDTKHMWBA-UHFFFAOYSA-N
XLogP1.20
TPSA136.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
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

3-[[(4-fluorobenzoyl)amino]carbamoyl]-4-methoxybenzenesulfonamide
CID 7964817
3-[[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]carbamoyl]-4-methoxybenzenesulfonamide
CID 9367206
2-methoxy-N-(3-propan-2-yloxypropyl)-5-sulfamoylbenzamide
CID 9292499
2-methoxy-N-(5-methylhexan-2-yl)-5-sulfamoylbenzamide
CID 43019463
N-ethyl-2-methoxy-5-sulfamoylbenzamide
CID 6473438
N-(1-cyclobutylethyl)-2-methoxy-5-sulfamoylbenzamide
CID 115769101
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-methoxy-5-sulfamoylbenzoate
CID 7890664
N-(4-ethoxyphenyl)-2-methoxy-5-sulfamoylbenzamide
CID 7779984
2-methoxy-N-(3-methoxyphenyl)-5-sulfamoylbenzamide
CID 27167646
2-methoxy-N-(2-methylbutyl)-5-sulfamoylbenzamide
CID 65388845
4-[[(5-chloro-2-methoxybenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide
CID 24636094
ethyl 4-[(2-methoxy-5-sulfamoylbenzoyl)amino]benzoate
CID 4851180

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[[(4-propan-2-yloxybenzoyl)amino]carbamoyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-3-[[(4-propan-2-yloxybenzoyl)amino]carbamoyl]benzenesulfonamide (CID 27644258) is 4-methoxy-3-[[(4-propan-2-yloxybenzoyl)amino]carbamoyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-[[(4-propan-2-yloxybenzoyl)amino]carbamoyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-[[(4-propan-2-yloxybenzoyl)amino]carbamoyl]benzenesulfonamide is COc1ccc(S(N)(=O)=O)cc1C(=O)NNC(=O)c1ccc(OC(C)C)cc1.
What is the InChIKey of 4-methoxy-3-[[(4-propan-2-yloxybenzoyl)amino]carbamoyl]benzenesulfonamide?
The InChIKey is NKYBCUDTKHMWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O6S/c1-11(2)27-13-6-4-12(5-7-13)17(22)20-21-18(23)15-10-14(28(19,24)25)8-9-16(15)26-3/h4-11H,1-3H3,(H,20,22)(H,21,23)(H2,19,24,25).
What are the key properties of 4-methoxy-3-[[(4-propan-2-yloxybenzoyl)amino]carbamoyl]benzenesulfonamide?
4-methoxy-3-[[(4-propan-2-yloxybenzoyl)amino]carbamoyl]benzenesulfonamide has a molecular weight of 407.45 g/mol, XLogP of 1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[[(4-propan-2-yloxybenzoyl)amino]carbamoyl]benzenesulfonamide is sourced from PubChem (CID 27644258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).