3-[methoxy(methyl)sulfamoyl]-N-[[1-[(R)-methylsulfinyl]cyclobutyl]methyl]benzamide

C15H22N2O5S2 — CID 125141107

IUPAC3-[methoxy(methyl)sulfamoyl]-N-[[1-[(R)-methylsulfinyl]cyclobutyl]methyl]benzamide
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)NCC2([S@@](C)=O)CCC2)c1
InChIInChI=1S/C15H22N2O5S2/c1-17(22-2)24(20,21)13-7-4-6-12(10-13)14(18)16-11-15(23(3)19)8-5-9-15/h4,6-7,10H,5,8-9,11H2,1-3H3,(H,16,18)/t23-/m1/s1
InChIKeyRUKNBCDAHDFWKH-HSZRJFAPSA-N
MW374.48 g/mol
LogP0.90
Rot. Bonds7

About 3-[methoxy(methyl)sulfamoyl]-N-[[1-[(R)-methylsulfinyl]cyclobutyl]methyl]benzamide

3-[methoxy(methyl)sulfamoyl]-N-[[1-[(R)-methylsulfinyl]cyclobutyl]methyl]benzamide (PubChem CID 125141107) has the molecular formula C15H22N2O5S2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 3-[methoxy(methyl)sulfamoyl]-N-[[1-[(R)-methylsulfinyl]cyclobutyl]methyl]benzamide.

Molecular Properties

Compound Name3-[methoxy(methyl)sulfamoyl]-N-[[1-[(R)-methylsulfinyl]cyclobutyl]methyl]benzamide
PubChem CID125141107
Molecular FormulaC15H22N2O5S2
Molecular Weight374.48 g/mol
Exact Mass374.10
IUPAC Name3-[methoxy(methyl)sulfamoyl]-N-[[1-[(R)-methylsulfinyl]cyclobutyl]methyl]benzamide
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)NCC2([S@@](C)=O)CCC2)c1
InChIInChI=1S/C15H22N2O5S2/c1-17(22-2)24(20,21)13-7-4-6-12(10-13)14(18)16-11-15(23(3)19)8-5-9-15/h4,6-7,10H,5,8-9,11H2,1-3H3,(H,16,18)/t23-/m1/s1
InChIKeyRUKNBCDAHDFWKH-HSZRJFAPSA-N
XLogP0.90
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 50.90
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

3-[methoxy(methyl)sulfamoyl]-N-[[1-[(S)-methylsulfinyl]cyclobutyl]methyl]benzamide
CID 125141108
N-[2-(cyclohexen-1-yl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 31364918
3-[methoxy(methyl)sulfamoyl]-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide
CID 9143604
3-[methoxy(methyl)sulfamoyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589604
N-(2,6-diethylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 18197987
N-[2-(3-chlorophenyl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 31251417
3-[methoxy(methyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide
CID 51250979
3-[methoxy(methyl)sulfamoyl]-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 9273168
3-[methoxy(methyl)sulfamoyl]-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
CID 55658978
N-methoxy-N-methyl-3-[[(3-nitrobenzoyl)amino]carbamoyl]benzenesulfonamide
CID 35125317
3-[methoxy(methyl)sulfamoyl]-N-(6-methylheptan-2-yl)benzamide
CID 51204934
N-(1,3-benzodioxol-5-yl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 9191609

Frequently Asked Questions

What is the IUPAC name of 3-[methoxy(methyl)sulfamoyl]-N-[[1-[(R)-methylsulfinyl]cyclobutyl]methyl]benzamide?
The IUPAC name of 3-[methoxy(methyl)sulfamoyl]-N-[[1-[(R)-methylsulfinyl]cyclobutyl]methyl]benzamide (CID 125141107) is 3-[methoxy(methyl)sulfamoyl]-N-[[1-[(R)-methylsulfinyl]cyclobutyl]methyl]benzamide.
What is the SMILES notation for 3-[methoxy(methyl)sulfamoyl]-N-[[1-[(R)-methylsulfinyl]cyclobutyl]methyl]benzamide?
The canonical SMILES for 3-[methoxy(methyl)sulfamoyl]-N-[[1-[(R)-methylsulfinyl]cyclobutyl]methyl]benzamide is CON(C)S(=O)(=O)c1cccc(C(=O)NCC2([S@@](C)=O)CCC2)c1.
What is the InChIKey of 3-[methoxy(methyl)sulfamoyl]-N-[[1-[(R)-methylsulfinyl]cyclobutyl]methyl]benzamide?
The InChIKey is RUKNBCDAHDFWKH-HSZRJFAPSA-N. The full InChI is InChI=1S/C15H22N2O5S2/c1-17(22-2)24(20,21)13-7-4-6-12(10-13)14(18)16-11-15(23(3)19)8-5-9-15/h4,6-7,10H,5,8-9,11H2,1-3H3,(H,16,18)/t23-/m1/s1.
What are the key properties of 3-[methoxy(methyl)sulfamoyl]-N-[[1-[(R)-methylsulfinyl]cyclobutyl]methyl]benzamide?
3-[methoxy(methyl)sulfamoyl]-N-[[1-[(R)-methylsulfinyl]cyclobutyl]methyl]benzamide has a molecular weight of 374.48 g/mol, XLogP of 0.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methoxy(methyl)sulfamoyl]-N-[[1-[(R)-methylsulfinyl]cyclobutyl]methyl]benzamide is sourced from PubChem (CID 125141107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).