N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide

C22H29N3O6S2 — CID 55389570

IUPACN-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCON(C)S(=O)(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3C)ccc2C)cc1
InChIInChI=1S/C22H29N3O6S2/c1-16-8-11-20(33(29,30)25-14-6-5-7-17(25)2)15-21(16)22(26)23-18-9-12-19(13-10-18)32(27,28)24(3)31-4/h8-13,15,17H,5-7,14H2,1-4H3,(H,23,26)
InChIKeyUBQAWQMBAYYVAA-UHFFFAOYSA-N
MW495.62 g/mol
LogP2.99
Rot. Bonds7

About N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide

N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 55389570) has the molecular formula C22H29N3O6S2 and a molecular weight of 495.62 g/mol. Its IUPAC name is N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID55389570
Molecular FormulaC22H29N3O6S2
Molecular Weight495.62 g/mol
Exact Mass495.15
IUPAC NameN-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCON(C)S(=O)(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3C)ccc2C)cc1
InChIInChI=1S/C22H29N3O6S2/c1-16-8-11-20(33(29,30)25-14-6-5-7-17(25)2)15-21(16)22(26)23-18-9-12-19(13-10-18)32(27,28)24(3)31-4/h8-13,15,17H,5-7,14H2,1-4H3,(H,23,26)
InChIKeyUBQAWQMBAYYVAA-UHFFFAOYSA-N
XLogP2.99
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.62
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 134010325
methyl 2-methyl-2-[[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]propanoate
CID 55609673
2-chloro-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55389383
N-(2-aminoethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 119384497
methyl (2S)-3-methyl-2-[[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]butanoate
CID 55942554
N-(2-aminoethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119384496
methyl 3-[[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-4-pyrrolidin-1-ylbenzoate
CID 55515320
N-[(2S)-butan-2-yl]-2-methyl-5-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 34674274
2-methyl-5-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 35518524
[1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoate
CID 55421315
2-methyl-5-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide
CID 36542393
(3R)-3-[[2-methyl-5-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]butanoic acid
CID 97314683

Frequently Asked Questions

What is the IUPAC name of N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide (CID 55389570) is N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide is CON(C)S(=O)(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3C)ccc2C)cc1.
What is the InChIKey of N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is UBQAWQMBAYYVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O6S2/c1-16-8-11-20(33(29,30)25-14-6-5-7-17(25)2)15-21(16)22(26)23-18-9-12-19(13-10-18)32(27,28)24(3)31-4/h8-13,15,17H,5-7,14H2,1-4H3,(H,23,26).
What are the key properties of N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide?
N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 495.62 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 55389570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).