N-[(1R)-1-(1-adamantyl)propyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide

C25H36N2O5S — CID 51923318

IUPACN-[(1R)-1-(1-adamantyl)propyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
SMILESCC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C25H36N2O5S/c1-3-23(25-14-17-10-18(15-25)12-19(11-17)16-25)26-24(28)21-13-20(4-5-22(21)31-2)33(29,30)27-6-8-32-9-7-27/h4-5,13,17-19,23H,3,6-12,14-16H2,1-2H3,(H,26,28)/t17?,18?,19?,23-,25?/m1/s1
InChIKeyROFGJCIROYIBKV-OIBAJTQMSA-N
MW476.64 g/mol
LogP3.44
Rot. Bonds7

About N-[(1R)-1-(1-adamantyl)propyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide

N-[(1R)-1-(1-adamantyl)propyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 51923318) has the molecular formula C25H36N2O5S and a molecular weight of 476.64 g/mol. Its IUPAC name is N-[(1R)-1-(1-adamantyl)propyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-adamantyl)propyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
PubChem CID51923318
Molecular FormulaC25H36N2O5S
Molecular Weight476.64 g/mol
Exact Mass476.23
IUPAC NameN-[(1R)-1-(1-adamantyl)propyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
SMILESCC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C25H36N2O5S/c1-3-23(25-14-17-10-18(15-25)12-19(11-17)16-25)26-24(28)21-13-20(4-5-22(21)31-2)33(29,30)27-6-8-32-9-7-27/h4-5,13,17-19,23H,3,6-12,14-16H2,1-2H3,(H,26,28)/t17?,18?,19?,23-,25?/m1/s1
InChIKeyROFGJCIROYIBKV-OIBAJTQMSA-N
XLogP3.44
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.64
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-adamantyl)propyl]-3-morpholin-4-ylsulfonylbenzamide
CID 43011512
N-(2-ethyl-1-thiophen-2-ylbutyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 55903780
N-(2,4-dimethylpentan-3-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 28591079
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 125144986
N-[(1S)-1-(1-adamantyl)propyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 51873180
N-cyclopropyl-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 26736864
2-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5-morpholin-4-ylsulfonylbenzamide
CID 28631613
N-[2-(ethylamino)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 119505913
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 55949750
N-[1-(1-adamantyl)propyl]-3-methoxynaphthalene-2-carboxamide
CID 3935964
N-(3-aminobutyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 119496106
N-[1-(2,4-dichlorophenyl)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 46820089

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-adamantyl)propyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[(1R)-1-(1-adamantyl)propyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide (CID 51923318) is N-[(1R)-1-(1-adamantyl)propyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[(1R)-1-(1-adamantyl)propyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[(1R)-1-(1-adamantyl)propyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide is CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(1R)-1-(1-adamantyl)propyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is ROFGJCIROYIBKV-OIBAJTQMSA-N. The full InChI is InChI=1S/C25H36N2O5S/c1-3-23(25-14-17-10-18(15-25)12-19(11-17)16-25)26-24(28)21-13-20(4-5-22(21)31-2)33(29,30)27-6-8-32-9-7-27/h4-5,13,17-19,23H,3,6-12,14-16H2,1-2H3,(H,26,28)/t17?,18?,19?,23-,25?/m1/s1.
What are the key properties of N-[(1R)-1-(1-adamantyl)propyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide?
N-[(1R)-1-(1-adamantyl)propyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 476.64 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-adamantyl)propyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 51923318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).