2-methoxy-N-(2-methylsulfanylethyl)-N-(4-sulfamoylphenyl)benzamide

C17H20N2O4S2 — CID 22036216

IUPAC2-methoxy-N-(2-methylsulfanylethyl)-N-(4-sulfamoylphenyl)benzamide
SMILESCOc1ccccc1C(=O)N(CCSC)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H20N2O4S2/c1-23-16-6-4-3-5-15(16)17(20)19(11-12-24-2)13-7-9-14(10-8-13)25(18,21)22/h3-10H,11-12H2,1-2H3,(H2,18,21,22)
InChIKeyGFAORRQJLOVUKR-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.35
Rot. Bonds7

About 2-methoxy-N-(2-methylsulfanylethyl)-N-(4-sulfamoylphenyl)benzamide

2-methoxy-N-(2-methylsulfanylethyl)-N-(4-sulfamoylphenyl)benzamide (PubChem CID 22036216) has the molecular formula C17H20N2O4S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-methoxy-N-(2-methylsulfanylethyl)-N-(4-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name2-methoxy-N-(2-methylsulfanylethyl)-N-(4-sulfamoylphenyl)benzamide
PubChem CID22036216
Molecular FormulaC17H20N2O4S2
Molecular Weight380.49 g/mol
Exact Mass380.09
IUPAC Name2-methoxy-N-(2-methylsulfanylethyl)-N-(4-sulfamoylphenyl)benzamide
SMILESCOc1ccccc1C(=O)N(CCSC)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H20N2O4S2/c1-23-16-6-4-3-5-15(16)17(20)19(11-12-24-2)13-7-9-14(10-8-13)25(18,21)22/h3-10H,11-12H2,1-2H3,(H2,18,21,22)
InChIKeyGFAORRQJLOVUKR-UHFFFAOYSA-N
XLogP2.35
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-N-(4-hydroxyphenyl)-2-methoxybenzamide
CID 162786310
2-methoxy-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylbenzamide
CID 1322535
2-methoxy-N-[3-oxo-3-(4-sulfamoylanilino)propyl]benzamide
CID 4843806
N-(2-aminophenyl)-N-(2-hydroxyethyl)-2-methoxybenzamide
CID 43547919
N-(4-ethylphenyl)-2-methoxy-N-(4-methylphenyl)sulfonylbenzamide
CID 19210849
[2-(N-methylanilino)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 16518455
N-(benzenesulfonyl)-2-methoxy-N-(4-methoxyphenyl)benzamide
CID 19204610
[1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 2-methoxy-5-sulfamoylbenzoate
CID 42900205
2-methoxy-N,N-bis(2-methoxyethyl)benzamide
CID 51072625
2-methoxy-N-[(2S)-3-methyl-1-oxo-1-(4-sulfamoylanilino)butan-2-yl]benzamide
CID 9034878
N-[2-(N-acetyl-4-chloroanilino)ethyl]-2-methoxybenzamide
CID 113059627
N-(3-aminopropyl)-2-methoxy-N-propan-2-ylbenzamide
CID 43136698

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-methylsulfanylethyl)-N-(4-sulfamoylphenyl)benzamide?
The IUPAC name of 2-methoxy-N-(2-methylsulfanylethyl)-N-(4-sulfamoylphenyl)benzamide (CID 22036216) is 2-methoxy-N-(2-methylsulfanylethyl)-N-(4-sulfamoylphenyl)benzamide.
What is the SMILES notation for 2-methoxy-N-(2-methylsulfanylethyl)-N-(4-sulfamoylphenyl)benzamide?
The canonical SMILES for 2-methoxy-N-(2-methylsulfanylethyl)-N-(4-sulfamoylphenyl)benzamide is COc1ccccc1C(=O)N(CCSC)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-methoxy-N-(2-methylsulfanylethyl)-N-(4-sulfamoylphenyl)benzamide?
The InChIKey is GFAORRQJLOVUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S2/c1-23-16-6-4-3-5-15(16)17(20)19(11-12-24-2)13-7-9-14(10-8-13)25(18,21)22/h3-10H,11-12H2,1-2H3,(H2,18,21,22).
What are the key properties of 2-methoxy-N-(2-methylsulfanylethyl)-N-(4-sulfamoylphenyl)benzamide?
2-methoxy-N-(2-methylsulfanylethyl)-N-(4-sulfamoylphenyl)benzamide has a molecular weight of 380.49 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-methylsulfanylethyl)-N-(4-sulfamoylphenyl)benzamide is sourced from PubChem (CID 22036216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).