2-methoxy-N-(3-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide

C18H27N3O5S — CID 120556774

IUPAC2-methoxy-N-(3-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1CCNCC1C
InChIInChI=1S/C18H27N3O5S/c1-13-12-19-6-5-16(13)20-18(22)15-11-14(3-4-17(15)25-2)27(23,24)21-7-9-26-10-8-21/h3-4,11,13,16,19H,5-10,12H2,1-2H3,(H,20,22)
InChIKeyGMQOPYYPUNGQOF-UHFFFAOYSA-N
MW397.50 g/mol
LogP0.44
Rot. Bonds5

About 2-methoxy-N-(3-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide

2-methoxy-N-(3-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 120556774) has the molecular formula C18H27N3O5S and a molecular weight of 397.50 g/mol. Its IUPAC name is 2-methoxy-N-(3-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-methoxy-N-(3-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide
PubChem CID120556774
Molecular FormulaC18H27N3O5S
Molecular Weight397.50 g/mol
Exact Mass397.17
IUPAC Name2-methoxy-N-(3-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1CCNCC1C
InChIInChI=1S/C18H27N3O5S/c1-13-12-19-6-5-16(13)20-18(22)15-11-14(3-4-17(15)25-2)27(23,24)21-7-9-26-10-8-21/h3-4,11,13,16,19H,5-10,12H2,1-2H3,(H,20,22)
InChIKeyGMQOPYYPUNGQOF-UHFFFAOYSA-N
XLogP0.44
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-5-morpholin-4-ylsulfonyl-N-pyrrolidin-3-ylbenzamide
CID 119450765
N-cyclopropyl-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 26736864
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 125144986
5-(azepan-1-ylsulfonyl)-2-methoxy-N-pyrrolidin-3-ylbenzamide
CID 119450981
5-chloro-2-methoxy-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120556533
N-(3,4-dihydro-2H-chromen-4-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 16561402
2-methyl-N-[(1S,2S)-2-methylcyclohexyl]-5-morpholin-4-ylsulfonylbenzamide
CID 2715702
N-(2,4-dimethylpentan-3-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 28591079
N-(2-chlorophenyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 18195774
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 55949750
2-methoxy-5-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 28570089
2-methoxy-N'-(4-methoxybenzoyl)-5-morpholin-4-ylsulfonylbenzohydrazide
CID 24536047

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(3-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2-methoxy-N-(3-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide (CID 120556774) is 2-methoxy-N-(3-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2-methoxy-N-(3-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2-methoxy-N-(3-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1CCNCC1C.
What is the InChIKey of 2-methoxy-N-(3-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is GMQOPYYPUNGQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O5S/c1-13-12-19-6-5-16(13)20-18(22)15-11-14(3-4-17(15)25-2)27(23,24)21-7-9-26-10-8-21/h3-4,11,13,16,19H,5-10,12H2,1-2H3,(H,20,22).
What are the key properties of 2-methoxy-N-(3-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide?
2-methoxy-N-(3-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 397.50 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(3-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 120556774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).