N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-2,1,3-benzothiadiazole-5-carboxamide

C15H20N4O4S2 — CID 146080605

IUPACN-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-2,1,3-benzothiadiazole-5-carboxamide
SMILESCOC1(CNC(=O)c2ccc3nsnc3c2)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C15H20N4O4S2/c1-23-15(5-7-19(8-6-15)25(2,21)22)10-16-14(20)11-3-4-12-13(9-11)18-24-17-12/h3-4,9H,5-8,10H2,1-2H3,(H,16,20)
InChIKeyXMPLKZHXHQKWCG-UHFFFAOYSA-N
MW384.48 g/mol
LogP0.86
Rot. Bonds5

About N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-2,1,3-benzothiadiazole-5-carboxamide

N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-2,1,3-benzothiadiazole-5-carboxamide (PubChem CID 146080605) has the molecular formula C15H20N4O4S2 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-2,1,3-benzothiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-2,1,3-benzothiadiazole-5-carboxamide
PubChem CID146080605
Molecular FormulaC15H20N4O4S2
Molecular Weight384.48 g/mol
Exact Mass384.09
IUPAC NameN-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-2,1,3-benzothiadiazole-5-carboxamide
SMILESCOC1(CNC(=O)c2ccc3nsnc3c2)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C15H20N4O4S2/c1-23-15(5-7-19(8-6-15)25(2,21)22)10-16-14(20)11-3-4-12-13(9-11)18-24-17-12/h3-4,9H,5-8,10H2,1-2H3,(H,16,20)
InChIKeyXMPLKZHXHQKWCG-UHFFFAOYSA-N
XLogP0.86
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-tert-butyl-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]benzamide
CID 146080554
3-fluoro-4-methoxy-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]benzamide
CID 146075050
N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]furan-2-carboxamide
CID 146074971
5-bromo-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]furan-2-carboxamide
CID 146075012
N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 146074999
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 71803564
3-(2-chlorophenyl)-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]prop-2-enamide
CID 171148556
N'-(2-cyanophenyl)-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]oxamide
CID 146075191
N-(4-pyrrolidin-1-ylbutyl)-2,1,3-benzothiadiazole-5-carboxamide;hydrochloride
CID 71782890
4-chloro-N-[(1-methoxycyclobutyl)methyl]-3-sulfamoylbenzamide
CID 103991217
N-[(1-methoxycyclobutyl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 75451316
(4-methoxy-1-methylsulfonylpiperidin-4-yl)methanamine
CID 130519310

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-2,1,3-benzothiadiazole-5-carboxamide?
The IUPAC name of N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-2,1,3-benzothiadiazole-5-carboxamide (CID 146080605) is N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-2,1,3-benzothiadiazole-5-carboxamide.
What is the SMILES notation for N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-2,1,3-benzothiadiazole-5-carboxamide?
The canonical SMILES for N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-2,1,3-benzothiadiazole-5-carboxamide is COC1(CNC(=O)c2ccc3nsnc3c2)CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-2,1,3-benzothiadiazole-5-carboxamide?
The InChIKey is XMPLKZHXHQKWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4S2/c1-23-15(5-7-19(8-6-15)25(2,21)22)10-16-14(20)11-3-4-12-13(9-11)18-24-17-12/h3-4,9H,5-8,10H2,1-2H3,(H,16,20).
What are the key properties of N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-2,1,3-benzothiadiazole-5-carboxamide?
N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-2,1,3-benzothiadiazole-5-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-2,1,3-benzothiadiazole-5-carboxamide is sourced from PubChem (CID 146080605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).