3-methoxy-4-methyl-N-piperidin-1-ylsulfonylbenzamide

C14H20N2O4S — CID 60565196

IUPAC3-methoxy-4-methyl-N-piperidin-1-ylsulfonylbenzamide
SMILESCOc1cc(C(=O)NS(=O)(=O)N2CCCCC2)ccc1C
InChIInChI=1S/C14H20N2O4S/c1-11-6-7-12(10-13(11)20-2)14(17)15-21(18,19)16-8-4-3-5-9-16/h6-7,10H,3-5,8-9H2,1-2H3,(H,15,17)
InChIKeyMVOJAIZIVGXKBN-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.46
Rot. Bonds4

About 3-methoxy-4-methyl-N-piperidin-1-ylsulfonylbenzamide

3-methoxy-4-methyl-N-piperidin-1-ylsulfonylbenzamide (PubChem CID 60565196) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 3-methoxy-4-methyl-N-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name3-methoxy-4-methyl-N-piperidin-1-ylsulfonylbenzamide
PubChem CID60565196
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name3-methoxy-4-methyl-N-piperidin-1-ylsulfonylbenzamide
SMILESCOc1cc(C(=O)NS(=O)(=O)N2CCCCC2)ccc1C
InChIInChI=1S/C14H20N2O4S/c1-11-6-7-12(10-13(11)20-2)14(17)15-21(18,19)16-8-4-3-5-9-16/h6-7,10H,3-5,8-9H2,1-2H3,(H,15,17)
InChIKeyMVOJAIZIVGXKBN-UHFFFAOYSA-N
XLogP1.46
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-pyrrolidin-1-ylsulfonylbenzamide
CID 47363389
N-(2-methoxy-5-methylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 2684884
N-(2,5-dimethoxyphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19059853
3-methoxy-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42039924
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 4849595
3-(azepan-1-ylsulfonyl)-N,4-dimethoxybenzamide
CID 33100558
N-(azocan-1-ylsulfonyl)-6-cyclopropyl-5-methoxypyridazine-3-carboxamide
CID 167745234
3-methoxy-4-methyl-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
CID 55411892
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 133210137
1-[(3-methoxy-4-methylbenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81158397
N-(3-chloro-4-methylphenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2665878
3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 60533969

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-methyl-N-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 3-methoxy-4-methyl-N-piperidin-1-ylsulfonylbenzamide (CID 60565196) is 3-methoxy-4-methyl-N-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 3-methoxy-4-methyl-N-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 3-methoxy-4-methyl-N-piperidin-1-ylsulfonylbenzamide is COc1cc(C(=O)NS(=O)(=O)N2CCCCC2)ccc1C.
What is the InChIKey of 3-methoxy-4-methyl-N-piperidin-1-ylsulfonylbenzamide?
The InChIKey is MVOJAIZIVGXKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-11-6-7-12(10-13(11)20-2)14(17)15-21(18,19)16-8-4-3-5-9-16/h6-7,10H,3-5,8-9H2,1-2H3,(H,15,17).
What are the key properties of 3-methoxy-4-methyl-N-piperidin-1-ylsulfonylbenzamide?
3-methoxy-4-methyl-N-piperidin-1-ylsulfonylbenzamide has a molecular weight of 312.39 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-methyl-N-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 60565196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).