4-methoxy-N-(3-propan-2-yloxypropyl)-3-(propan-2-ylsulfamoyl)benzamide

C17H28N2O5S — CID 45373535

IUPAC4-methoxy-N-(3-propan-2-yloxypropyl)-3-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccc(C(=O)NCCCOC(C)C)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C17H28N2O5S/c1-12(2)19-25(21,22)16-11-14(7-8-15(16)23-5)17(20)18-9-6-10-24-13(3)4/h7-8,11-13,19H,6,9-10H2,1-5H3,(H,18,20)
InChIKeyHVXKWFCAYSEPAP-UHFFFAOYSA-N
MW372.49 g/mol
LogP1.93
Rot. Bonds10

About 4-methoxy-N-(3-propan-2-yloxypropyl)-3-(propan-2-ylsulfamoyl)benzamide

4-methoxy-N-(3-propan-2-yloxypropyl)-3-(propan-2-ylsulfamoyl)benzamide (PubChem CID 45373535) has the molecular formula C17H28N2O5S and a molecular weight of 372.49 g/mol. Its IUPAC name is 4-methoxy-N-(3-propan-2-yloxypropyl)-3-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(3-propan-2-yloxypropyl)-3-(propan-2-ylsulfamoyl)benzamide
PubChem CID45373535
Molecular FormulaC17H28N2O5S
Molecular Weight372.49 g/mol
Exact Mass372.17
IUPAC Name4-methoxy-N-(3-propan-2-yloxypropyl)-3-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccc(C(=O)NCCCOC(C)C)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C17H28N2O5S/c1-12(2)19-25(21,22)16-11-14(7-8-15(16)23-5)17(20)18-9-6-10-24-13(3)4/h7-8,11-13,19H,6,9-10H2,1-5H3,(H,18,20)
InChIKeyHVXKWFCAYSEPAP-UHFFFAOYSA-N
XLogP1.93
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-3-methylsulfonyl-N-(2-propan-2-yloxyethyl)benzamide
CID 110610417
4-methoxy-3-(propan-2-ylsulfamoyl)-N-prop-2-ynylbenzamide
CID 39736994
3-amino-4-methoxy-N-(3-propan-2-yloxypropyl)benzamide
CID 82070538
4-methoxy-3-(propan-2-ylsulfamoyl)-N-(2-thiophen-2-ylethyl)benzamide
CID 46582229
2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide
CID 43890659
3-(ethylsulfamoyl)-4-methoxy-N-(3-methoxypropyl)benzamide
CID 45373616
N-butan-2-yl-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 45373494
N-(3-ethoxypropyl)-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 45373708
3-(cyclopropylsulfamoyl)-4-methoxy-N-(3-methoxypropyl)benzamide
CID 9439194
4-methoxy-N-[3-(methylamino)propyl]-3-(methylsulfamoyl)benzamide;hydrochloride
CID 119432718
5-[[(4-chlorobenzoyl)amino]carbamoyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 35158676
N-(4-butylphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 45373539

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(3-propan-2-yloxypropyl)-3-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of 4-methoxy-N-(3-propan-2-yloxypropyl)-3-(propan-2-ylsulfamoyl)benzamide (CID 45373535) is 4-methoxy-N-(3-propan-2-yloxypropyl)-3-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for 4-methoxy-N-(3-propan-2-yloxypropyl)-3-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for 4-methoxy-N-(3-propan-2-yloxypropyl)-3-(propan-2-ylsulfamoyl)benzamide is COc1ccc(C(=O)NCCCOC(C)C)cc1S(=O)(=O)NC(C)C.
What is the InChIKey of 4-methoxy-N-(3-propan-2-yloxypropyl)-3-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is HVXKWFCAYSEPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O5S/c1-12(2)19-25(21,22)16-11-14(7-8-15(16)23-5)17(20)18-9-6-10-24-13(3)4/h7-8,11-13,19H,6,9-10H2,1-5H3,(H,18,20).
What are the key properties of 4-methoxy-N-(3-propan-2-yloxypropyl)-3-(propan-2-ylsulfamoyl)benzamide?
4-methoxy-N-(3-propan-2-yloxypropyl)-3-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 372.49 g/mol, XLogP of 1.93, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(3-propan-2-yloxypropyl)-3-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 45373535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).