2-methoxy-N-[3-oxo-3-(4-sulfamoylanilino)propyl]benzamide

C17H19N3O5S — CID 4843806

IUPAC2-methoxy-N-[3-oxo-3-(4-sulfamoylanilino)propyl]benzamide
SMILESCOc1ccccc1C(=O)NCCC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H19N3O5S/c1-25-15-5-3-2-4-14(15)17(22)19-11-10-16(21)20-12-6-8-13(9-7-12)26(18,23)24/h2-9H,10-11H2,1H3,(H,19,22)(H,20,21)(H2,18,23,24)
InChIKeyXFHIBIVTOVJIFE-UHFFFAOYSA-N
MW377.42 g/mol
LogP1.10
Rot. Bonds7

About 2-methoxy-N-[3-oxo-3-(4-sulfamoylanilino)propyl]benzamide

2-methoxy-N-[3-oxo-3-(4-sulfamoylanilino)propyl]benzamide (PubChem CID 4843806) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is 2-methoxy-N-[3-oxo-3-(4-sulfamoylanilino)propyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[3-oxo-3-(4-sulfamoylanilino)propyl]benzamide
PubChem CID4843806
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC Name2-methoxy-N-[3-oxo-3-(4-sulfamoylanilino)propyl]benzamide
SMILESCOc1ccccc1C(=O)NCCC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H19N3O5S/c1-25-15-5-3-2-4-14(15)17(22)19-11-10-16(21)20-12-6-8-13(9-7-12)26(18,23)24/h2-9H,10-11H2,1H3,(H,19,22)(H,20,21)(H2,18,23,24)
InChIKeyXFHIBIVTOVJIFE-UHFFFAOYSA-N
XLogP1.10
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methoxyphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 24640601
2-methoxy-N-[(2S)-3-methyl-1-oxo-1-(4-sulfamoylanilino)butan-2-yl]benzamide
CID 9034878
[2-(4-tert-butylanilino)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827656
2,6-dimethoxy-N-(4-sulfamoylphenyl)benzamide
CID 954656
3-[(2-methoxybenzoyl)amino]propanoic acid
CID 67981005
N-[3-(2,5-dimethylanilino)-3-oxopropyl]-2-methoxybenzamide
CID 26500169
N-[3-(2,5-dimethoxyanilino)-3-oxopropyl]-2-methoxybenzamide
CID 28918895
methyl 4-oxo-4-(4-sulfamoylanilino)butanoate
CID 721949
[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827687
2-hydroxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538036
3-amino-N-(4-sulfamoylphenyl)propanamide
CID 10776616
2-methoxy-N-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]benzamide
CID 28918889

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-oxo-3-(4-sulfamoylanilino)propyl]benzamide?
The IUPAC name of 2-methoxy-N-[3-oxo-3-(4-sulfamoylanilino)propyl]benzamide (CID 4843806) is 2-methoxy-N-[3-oxo-3-(4-sulfamoylanilino)propyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[3-oxo-3-(4-sulfamoylanilino)propyl]benzamide?
The canonical SMILES for 2-methoxy-N-[3-oxo-3-(4-sulfamoylanilino)propyl]benzamide is COc1ccccc1C(=O)NCCC(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-methoxy-N-[3-oxo-3-(4-sulfamoylanilino)propyl]benzamide?
The InChIKey is XFHIBIVTOVJIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S/c1-25-15-5-3-2-4-14(15)17(22)19-11-10-16(21)20-12-6-8-13(9-7-12)26(18,23)24/h2-9H,10-11H2,1H3,(H,19,22)(H,20,21)(H2,18,23,24).
What are the key properties of 2-methoxy-N-[3-oxo-3-(4-sulfamoylanilino)propyl]benzamide?
2-methoxy-N-[3-oxo-3-(4-sulfamoylanilino)propyl]benzamide has a molecular weight of 377.42 g/mol, XLogP of 1.10, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-oxo-3-(4-sulfamoylanilino)propyl]benzamide is sourced from PubChem (CID 4843806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).