4-[methoxy(methyl)sulfamoyl]-N-[2-oxo-2-(propylamino)ethyl]-N-propylbenzamide

C17H27N3O5S — CID 55892850

IUPAC4-[methoxy(methyl)sulfamoyl]-N-[2-oxo-2-(propylamino)ethyl]-N-propylbenzamide
SMILESCCCNC(=O)CN(CCC)C(=O)c1ccc(S(=O)(=O)N(C)OC)cc1
InChIInChI=1S/C17H27N3O5S/c1-5-11-18-16(21)13-20(12-6-2)17(22)14-7-9-15(10-8-14)26(23,24)19(3)25-4/h7-10H,5-6,11-13H2,1-4H3,(H,18,21)
InChIKeyVMXSAZZTWYXIRI-UHFFFAOYSA-N
MW385.49 g/mol
LogP1.25
Rot. Bonds10

About 4-[methoxy(methyl)sulfamoyl]-N-[2-oxo-2-(propylamino)ethyl]-N-propylbenzamide

4-[methoxy(methyl)sulfamoyl]-N-[2-oxo-2-(propylamino)ethyl]-N-propylbenzamide (PubChem CID 55892850) has the molecular formula C17H27N3O5S and a molecular weight of 385.49 g/mol. Its IUPAC name is 4-[methoxy(methyl)sulfamoyl]-N-[2-oxo-2-(propylamino)ethyl]-N-propylbenzamide.

Molecular Properties

Compound Name4-[methoxy(methyl)sulfamoyl]-N-[2-oxo-2-(propylamino)ethyl]-N-propylbenzamide
PubChem CID55892850
Molecular FormulaC17H27N3O5S
Molecular Weight385.49 g/mol
Exact Mass385.17
IUPAC Name4-[methoxy(methyl)sulfamoyl]-N-[2-oxo-2-(propylamino)ethyl]-N-propylbenzamide
SMILESCCCNC(=O)CN(CCC)C(=O)c1ccc(S(=O)(=O)N(C)OC)cc1
InChIInChI=1S/C17H27N3O5S/c1-5-11-18-16(21)13-20(12-6-2)17(22)14-7-9-15(10-8-14)26(23,24)19(3)25-4/h7-10H,5-6,11-13H2,1-4H3,(H,18,21)
InChIKeyVMXSAZZTWYXIRI-UHFFFAOYSA-N
XLogP1.25
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-oxo-2-(propylamino)ethyl]-N-propylbenzamide
CID 55900495
2-[(4-carbamothioylphenyl)sulfonyl-methylamino]-N-propylacetamide
CID 61452669
2-[(4-bromophenyl)sulfonyl-methylamino]-N-propylacetamide
CID 2190609
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propylacetamide
CID 2188671
methyl 4-[methoxy(methyl)sulfamoyl]benzoate
CID 35459995
4-(1,3-dithiolan-2-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylbenzamide
CID 87022112
6-fluoro-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyridine-3-carboxamide
CID 63979339
2-[(4-fluorophenyl)sulfonyl-propylamino]-N-propylacetamide
CID 60627428
N-[(2-chlorophenyl)methyl]-N-ethyl-4-[methoxy(methyl)sulfamoyl]benzamide
CID 55594429
4-[methoxy(methyl)sulfamoyl]benzamide
CID 47116565
N-[2-(4-fluorophenyl)ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide
CID 9210483
N-benzyl-N-butan-2-yl-4-[methoxy(methyl)sulfamoyl]benzamide
CID 51217403

Frequently Asked Questions

What is the IUPAC name of 4-[methoxy(methyl)sulfamoyl]-N-[2-oxo-2-(propylamino)ethyl]-N-propylbenzamide?
The IUPAC name of 4-[methoxy(methyl)sulfamoyl]-N-[2-oxo-2-(propylamino)ethyl]-N-propylbenzamide (CID 55892850) is 4-[methoxy(methyl)sulfamoyl]-N-[2-oxo-2-(propylamino)ethyl]-N-propylbenzamide.
What is the SMILES notation for 4-[methoxy(methyl)sulfamoyl]-N-[2-oxo-2-(propylamino)ethyl]-N-propylbenzamide?
The canonical SMILES for 4-[methoxy(methyl)sulfamoyl]-N-[2-oxo-2-(propylamino)ethyl]-N-propylbenzamide is CCCNC(=O)CN(CCC)C(=O)c1ccc(S(=O)(=O)N(C)OC)cc1.
What is the InChIKey of 4-[methoxy(methyl)sulfamoyl]-N-[2-oxo-2-(propylamino)ethyl]-N-propylbenzamide?
The InChIKey is VMXSAZZTWYXIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O5S/c1-5-11-18-16(21)13-20(12-6-2)17(22)14-7-9-15(10-8-14)26(23,24)19(3)25-4/h7-10H,5-6,11-13H2,1-4H3,(H,18,21).
What are the key properties of 4-[methoxy(methyl)sulfamoyl]-N-[2-oxo-2-(propylamino)ethyl]-N-propylbenzamide?
4-[methoxy(methyl)sulfamoyl]-N-[2-oxo-2-(propylamino)ethyl]-N-propylbenzamide has a molecular weight of 385.49 g/mol, XLogP of 1.25, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methoxy(methyl)sulfamoyl]-N-[2-oxo-2-(propylamino)ethyl]-N-propylbenzamide is sourced from PubChem (CID 55892850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).