(3R)-4-[3-(5-azaspiro[2.3]hexan-5-ylsulfonyl)benzoyl]-N-[(4-methylphenyl)methyl]morpholine-3-carboxamide

C25H29N3O5S — CID 159443109

IUPAC(3R)-4-[3-(5-azaspiro[2.3]hexan-5-ylsulfonyl)benzoyl]-N-[(4-methylphenyl)methyl]morpholine-3-carboxamide
SMILESCc1ccc(CNC(=O)[C@H]2COCCN2C(=O)c2cccc(S(=O)(=O)N3CC4(CC4)C3)c2)cc1
InChIInChI=1S/C25H29N3O5S/c1-18-5-7-19(8-6-18)14-26-23(29)22-15-33-12-11-28(22)24(30)20-3-2-4-21(13-20)34(31,32)27-16-25(17-27)9-10-25/h2-8,13,22H,9-12,14-17H2,1H3,(H,26,29)/t22-/m1/s1
InChIKeyMAHMNBFVZXWZOC-JOCHJYFZSA-N
MW483.59 g/mol
LogP1.94
Rot. Bonds6

About (3R)-4-[3-(5-azaspiro[2.3]hexan-5-ylsulfonyl)benzoyl]-N-[(4-methylphenyl)methyl]morpholine-3-carboxamide

(3R)-4-[3-(5-azaspiro[2.3]hexan-5-ylsulfonyl)benzoyl]-N-[(4-methylphenyl)methyl]morpholine-3-carboxamide (PubChem CID 159443109) has the molecular formula C25H29N3O5S and a molecular weight of 483.59 g/mol. Its IUPAC name is (3R)-4-[3-(5-azaspiro[2.3]hexan-5-ylsulfonyl)benzoyl]-N-[(4-methylphenyl)methyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(3R)-4-[3-(5-azaspiro[2.3]hexan-5-ylsulfonyl)benzoyl]-N-[(4-methylphenyl)methyl]morpholine-3-carboxamide
PubChem CID159443109
Molecular FormulaC25H29N3O5S
Molecular Weight483.59 g/mol
Exact Mass483.18
IUPAC Name(3R)-4-[3-(5-azaspiro[2.3]hexan-5-ylsulfonyl)benzoyl]-N-[(4-methylphenyl)methyl]morpholine-3-carboxamide
SMILESCc1ccc(CNC(=O)[C@H]2COCCN2C(=O)c2cccc(S(=O)(=O)N3CC4(CC4)C3)c2)cc1
InChIInChI=1S/C25H29N3O5S/c1-18-5-7-19(8-6-18)14-26-23(29)22-15-33-12-11-28(22)24(30)20-3-2-4-21(13-20)34(31,32)27-16-25(17-27)9-10-25/h2-8,13,22H,9-12,14-17H2,1H3,(H,26,29)/t22-/m1/s1
InChIKeyMAHMNBFVZXWZOC-JOCHJYFZSA-N
XLogP1.94
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R)-4-[3-(5-azaspiro[2.3]hexan-5-ylsulfonyl)benzoyl]morpholin-3-yl]ethanone
CID 159443108
N-ethyl-4-(3-iodobenzoyl)morpholine-3-carboxamide
CID 83100853
4-[3-(chloromethyl)benzoyl]-N-ethylmorpholine-3-carboxamide
CID 83098794
4-[3-(diethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119216140
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-(azepan-1-ylsulfonyl)benzoate
CID 2545042
N-[3-(3-methylmorpholine-4-carbonyl)phenyl]-1-(4-methylphenyl)methanesulfonamide
CID 110352918
N-[(4-fluorophenyl)methyl]-3-(3-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343552
3-morpholin-4-ylsulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 50944620
3-(4-methylpiperazin-1-yl)sulfonyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 50946670
N,N-dimethyl-3-(3-methylmorpholine-4-carbonyl)benzenesulfonamide
CID 110354676
3-morpholin-4-ylsulfonyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 99258291
N-[(4-morpholin-4-ylphenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 50946109

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[3-(5-azaspiro[2.3]hexan-5-ylsulfonyl)benzoyl]-N-[(4-methylphenyl)methyl]morpholine-3-carboxamide?
The IUPAC name of (3R)-4-[3-(5-azaspiro[2.3]hexan-5-ylsulfonyl)benzoyl]-N-[(4-methylphenyl)methyl]morpholine-3-carboxamide (CID 159443109) is (3R)-4-[3-(5-azaspiro[2.3]hexan-5-ylsulfonyl)benzoyl]-N-[(4-methylphenyl)methyl]morpholine-3-carboxamide.
What is the SMILES notation for (3R)-4-[3-(5-azaspiro[2.3]hexan-5-ylsulfonyl)benzoyl]-N-[(4-methylphenyl)methyl]morpholine-3-carboxamide?
The canonical SMILES for (3R)-4-[3-(5-azaspiro[2.3]hexan-5-ylsulfonyl)benzoyl]-N-[(4-methylphenyl)methyl]morpholine-3-carboxamide is Cc1ccc(CNC(=O)[C@H]2COCCN2C(=O)c2cccc(S(=O)(=O)N3CC4(CC4)C3)c2)cc1.
What is the InChIKey of (3R)-4-[3-(5-azaspiro[2.3]hexan-5-ylsulfonyl)benzoyl]-N-[(4-methylphenyl)methyl]morpholine-3-carboxamide?
The InChIKey is MAHMNBFVZXWZOC-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H29N3O5S/c1-18-5-7-19(8-6-18)14-26-23(29)22-15-33-12-11-28(22)24(30)20-3-2-4-21(13-20)34(31,32)27-16-25(17-27)9-10-25/h2-8,13,22H,9-12,14-17H2,1H3,(H,26,29)/t22-/m1/s1.
What are the key properties of (3R)-4-[3-(5-azaspiro[2.3]hexan-5-ylsulfonyl)benzoyl]-N-[(4-methylphenyl)methyl]morpholine-3-carboxamide?
(3R)-4-[3-(5-azaspiro[2.3]hexan-5-ylsulfonyl)benzoyl]-N-[(4-methylphenyl)methyl]morpholine-3-carboxamide has a molecular weight of 483.59 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[3-(5-azaspiro[2.3]hexan-5-ylsulfonyl)benzoyl]-N-[(4-methylphenyl)methyl]morpholine-3-carboxamide is sourced from PubChem (CID 159443109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).