N,N-diethyl-2-methoxy-5-piperidin-1-ylsulfonylbenzamide

C17H26N2O4S — CID 28590980

IUPACN,N-diethyl-2-methoxy-5-piperidin-1-ylsulfonylbenzamide
SMILESCCN(CC)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1OC
InChIInChI=1S/C17H26N2O4S/c1-4-18(5-2)17(20)15-13-14(9-10-16(15)23-3)24(21,22)19-11-7-6-8-12-19/h9-10,13H,4-8,11-12H2,1-3H3
InChIKeyOFSNJHORYDGUIS-UHFFFAOYSA-N
MW354.47 g/mol
LogP2.35
Rot. Bonds6

About N,N-diethyl-2-methoxy-5-piperidin-1-ylsulfonylbenzamide

N,N-diethyl-2-methoxy-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 28590980) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N,N-diethyl-2-methoxy-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN,N-diethyl-2-methoxy-5-piperidin-1-ylsulfonylbenzamide
PubChem CID28590980
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC NameN,N-diethyl-2-methoxy-5-piperidin-1-ylsulfonylbenzamide
SMILESCCN(CC)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1OC
InChIInChI=1S/C17H26N2O4S/c1-4-18(5-2)17(20)15-13-14(9-10-16(15)23-3)24(21,22)19-11-7-6-8-12-19/h9-10,13H,4-8,11-12H2,1-3H3
InChIKeyOFSNJHORYDGUIS-UHFFFAOYSA-N
XLogP2.35
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 55382547
5-(azepan-1-ylsulfonyl)-2-methoxy-N-methyl-N-(2-methylpropyl)benzamide
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2-methoxy-5-piperidin-1-ylsulfonylbenzoyl chloride
CID 20982776
5-(azepan-1-ylsulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-2-methoxy-N-methylbenzamide
CID 24817034
2-methoxy-N-propyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 27244612
2-methoxy-5-pyrrolidin-1-ylsulfonylbenzoyl chloride
CID 20982775
5-(azepan-1-ylsulfonyl)-N-[4-(diethylsulfamoyl)phenyl]-2-methoxybenzamide
CID 28591164
[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-(4-methylpiperazin-4-ium-1-yl)methanone
CID 7964116
N,N-diethyl-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 55335115
5-(2,3-dihydroindol-1-ylsulfonyl)-N,N-diethyl-2-methoxybenzamide
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CID 18109821

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-methoxy-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N,N-diethyl-2-methoxy-5-piperidin-1-ylsulfonylbenzamide (CID 28590980) is N,N-diethyl-2-methoxy-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N,N-diethyl-2-methoxy-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N,N-diethyl-2-methoxy-5-piperidin-1-ylsulfonylbenzamide is CCN(CC)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1OC.
What is the InChIKey of N,N-diethyl-2-methoxy-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is OFSNJHORYDGUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-4-18(5-2)17(20)15-13-14(9-10-16(15)23-3)24(21,22)19-11-7-6-8-12-19/h9-10,13H,4-8,11-12H2,1-3H3.
What are the key properties of N,N-diethyl-2-methoxy-5-piperidin-1-ylsulfonylbenzamide?
N,N-diethyl-2-methoxy-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 354.47 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-methoxy-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 28590980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).