2-methoxy-N-(3-propan-2-yloxypropyl)-5-sulfamoylbenzamide

C14H22N2O5S — CID 9292499

IUPAC2-methoxy-N-(3-propan-2-yloxypropyl)-5-sulfamoylbenzamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)NCCCOC(C)C
InChIInChI=1S/C14H22N2O5S/c1-10(2)21-8-4-7-16-14(17)12-9-11(22(15,18)19)5-6-13(12)20-3/h5-6,9-10H,4,7-8H2,1-3H3,(H,16,17)(H2,15,18,19)
InChIKeyBOVFCSNJKIUXTN-UHFFFAOYSA-N
MW330.41 g/mol
LogP0.89
Rot. Bonds8

About 2-methoxy-N-(3-propan-2-yloxypropyl)-5-sulfamoylbenzamide

2-methoxy-N-(3-propan-2-yloxypropyl)-5-sulfamoylbenzamide (PubChem CID 9292499) has the molecular formula C14H22N2O5S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-methoxy-N-(3-propan-2-yloxypropyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-methoxy-N-(3-propan-2-yloxypropyl)-5-sulfamoylbenzamide
PubChem CID9292499
Molecular FormulaC14H22N2O5S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name2-methoxy-N-(3-propan-2-yloxypropyl)-5-sulfamoylbenzamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)NCCCOC(C)C
InChIInChI=1S/C14H22N2O5S/c1-10(2)21-8-4-7-16-14(17)12-9-11(22(15,18)19)5-6-13(12)20-3/h5-6,9-10H,4,7-8H2,1-3H3,(H,16,17)(H2,15,18,19)
InChIKeyBOVFCSNJKIUXTN-UHFFFAOYSA-N
XLogP0.89
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 50.89
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

N-butyl-2-methoxy-5-sulfamoylbenzamide
CID 31321939
2-methoxy-N-(3-phenylpropyl)-5-sulfamoylbenzamide
CID 4796456
N-ethyl-2-methoxy-5-sulfamoylbenzamide
CID 6473438
2-chloro-N-(2-propan-2-yloxyethyl)-5-sulfamoylbenzamide
CID 104600938
2-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]-5-sulfamoylbenzamide
CID 3075862
2-methoxy-N-(2-methylbutyl)-5-sulfamoylbenzamide
CID 65388845
N-(2-cyclopropylpropyl)-2-methoxy-5-sulfamoylbenzamide
CID 115591271
2-methoxy-N-[2-(methylamino)propyl]-5-sulfamoylbenzamide;hydrochloride
CID 120828882
N-(2-cyclobutylethyl)-2-methoxy-5-sulfamoylbenzamide
CID 115687261
3-amino-4-methoxy-N-(3-propan-2-yloxypropyl)benzamide
CID 82070538
2-methoxy-N-(5-methylhexan-2-yl)-5-sulfamoylbenzamide
CID 43019463
N-benzyl-2-methoxy-5-sulfamoylbenzamide
CID 827282

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(3-propan-2-yloxypropyl)-5-sulfamoylbenzamide?
The IUPAC name of 2-methoxy-N-(3-propan-2-yloxypropyl)-5-sulfamoylbenzamide (CID 9292499) is 2-methoxy-N-(3-propan-2-yloxypropyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 2-methoxy-N-(3-propan-2-yloxypropyl)-5-sulfamoylbenzamide?
The canonical SMILES for 2-methoxy-N-(3-propan-2-yloxypropyl)-5-sulfamoylbenzamide is COc1ccc(S(N)(=O)=O)cc1C(=O)NCCCOC(C)C.
What is the InChIKey of 2-methoxy-N-(3-propan-2-yloxypropyl)-5-sulfamoylbenzamide?
The InChIKey is BOVFCSNJKIUXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5S/c1-10(2)21-8-4-7-16-14(17)12-9-11(22(15,18)19)5-6-13(12)20-3/h5-6,9-10H,4,7-8H2,1-3H3,(H,16,17)(H2,15,18,19).
What are the key properties of 2-methoxy-N-(3-propan-2-yloxypropyl)-5-sulfamoylbenzamide?
2-methoxy-N-(3-propan-2-yloxypropyl)-5-sulfamoylbenzamide has a molecular weight of 330.41 g/mol, XLogP of 0.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(3-propan-2-yloxypropyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 9292499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).