N-methyl-2-[1-(4-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]sulfonylacetamide

C19H27N3O7S2 — CID 90592568

IUPACN-methyl-2-[1-(4-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]sulfonylacetamide
SMILESCNC(=O)CS(=O)(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1
InChIInChI=1S/C19H27N3O7S2/c1-20-18(23)14-30(25,26)16-6-8-21(9-7-16)19(24)15-2-4-17(5-3-15)31(27,28)22-10-12-29-13-11-22/h2-5,16H,6-14H2,1H3,(H,20,23)
InChIKeyKGONXAZGSCPIOG-UHFFFAOYSA-N
MW473.57 g/mol
LogP-0.53
Rot. Bonds6

About N-methyl-2-[1-(4-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]sulfonylacetamide

N-methyl-2-[1-(4-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]sulfonylacetamide (PubChem CID 90592568) has the molecular formula C19H27N3O7S2 and a molecular weight of 473.57 g/mol. Its IUPAC name is N-methyl-2-[1-(4-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]sulfonylacetamide.

Molecular Properties

Compound NameN-methyl-2-[1-(4-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]sulfonylacetamide
PubChem CID90592568
Molecular FormulaC19H27N3O7S2
Molecular Weight473.57 g/mol
Exact Mass473.13
IUPAC NameN-methyl-2-[1-(4-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]sulfonylacetamide
SMILESCNC(=O)CS(=O)(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1
InChIInChI=1S/C19H27N3O7S2/c1-20-18(23)14-30(25,26)16-6-8-21(9-7-16)19(24)15-2-4-17(5-3-15)31(27,28)22-10-12-29-13-11-22/h2-5,16H,6-14H2,1H3,(H,20,23)
InChIKeyKGONXAZGSCPIOG-UHFFFAOYSA-N
XLogP-0.53
TPSA130.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(4-methoxybenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592519
[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]-morpholin-4-ylmethanone;hydrochloride
CID 119978011
N-methyl-2-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]sulfonylacetamide
CID 90592831
(4-benzylpiperidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 26590971
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 8803149
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 2332587
[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 90495021
(4-methylsulfonylpiperidin-1-yl)-(4-piperidin-1-ylsulfonylphenyl)methanone
CID 90585194
2-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592529
[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-morpholin-4-ylmethanone
CID 40791712
N-methyl-2-[1-[4-(2-methylphenoxy)phenyl]sulfonylpiperidin-4-yl]sulfonylacetamide
CID 90592877
[3-(ethoxymethyl)piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 110602769

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(4-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]sulfonylacetamide?
The IUPAC name of N-methyl-2-[1-(4-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]sulfonylacetamide (CID 90592568) is N-methyl-2-[1-(4-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]sulfonylacetamide.
What is the SMILES notation for N-methyl-2-[1-(4-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]sulfonylacetamide?
The canonical SMILES for N-methyl-2-[1-(4-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]sulfonylacetamide is CNC(=O)CS(=O)(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1.
What is the InChIKey of N-methyl-2-[1-(4-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]sulfonylacetamide?
The InChIKey is KGONXAZGSCPIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O7S2/c1-20-18(23)14-30(25,26)16-6-8-21(9-7-16)19(24)15-2-4-17(5-3-15)31(27,28)22-10-12-29-13-11-22/h2-5,16H,6-14H2,1H3,(H,20,23).
What are the key properties of N-methyl-2-[1-(4-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]sulfonylacetamide?
N-methyl-2-[1-(4-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]sulfonylacetamide has a molecular weight of 473.57 g/mol, XLogP of -0.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(4-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]sulfonylacetamide is sourced from PubChem (CID 90592568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).