N-[(1R)-1-(1-adamantyl)propyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide

C24H36N2O4S — CID 51872779

IUPACN-[(1R)-1-(1-adamantyl)propyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
SMILESCC[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H36N2O4S/c1-5-22(24-12-16-8-17(13-24)10-18(9-16)14-24)25-23(27)19-6-7-20(30-4)21(11-19)31(28,29)26-15(2)3/h6-7,11,15-18,22,26H,5,8-10,12-14H2,1-4H3,(H,25,27)/t16?,17?,18?,22-,24?/m1/s1
InChIKeyRBZBSWAACYYVRY-YFZSMNHSSA-N
MW448.63 g/mol
LogP4.11
Rot. Bonds8

About N-[(1R)-1-(1-adamantyl)propyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide

N-[(1R)-1-(1-adamantyl)propyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide (PubChem CID 51872779) has the molecular formula C24H36N2O4S and a molecular weight of 448.63 g/mol. Its IUPAC name is N-[(1R)-1-(1-adamantyl)propyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-adamantyl)propyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
PubChem CID51872779
Molecular FormulaC24H36N2O4S
Molecular Weight448.63 g/mol
Exact Mass448.24
IUPAC NameN-[(1R)-1-(1-adamantyl)propyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
SMILESCC[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H36N2O4S/c1-5-22(24-12-16-8-17(13-24)10-18(9-16)14-24)25-23(27)19-6-7-20(30-4)21(11-19)31(28,29)26-15(2)3/h6-7,11,15-18,22,26H,5,8-10,12-14H2,1-4H3,(H,25,27)/t16?,17?,18?,22-,24?/m1/s1
InChIKeyRBZBSWAACYYVRY-YFZSMNHSSA-N
XLogP4.11
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.63
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(1-adamantyl)propyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 51873180
N-butan-2-yl-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 45373494
N-[(1R)-1-(1-adamantyl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 51544551
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 28557637
4-methoxy-N-(1-phenylbutyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 46655114
4-methoxy-N-(4-methylcyclohexyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 46799189
4-methoxy-3-(propan-2-ylsulfamoyl)-N-prop-2-ynylbenzamide
CID 39736994
N-(1-adamantylmethyl)-4-methoxy-3-(methylsulfamoyl)benzamide
CID 27514427
N-[1-(1-adamantyl)propyl]-3-methoxynaphthalene-2-carboxamide
CID 3935964
N-[2-(aminomethyl)cyclohexyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 119610116
tert-butyl N-[[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]amino]carbamate
CID 22108264
5-[[(4-chlorobenzoyl)amino]carbamoyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 35158676

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-adamantyl)propyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-[(1R)-1-(1-adamantyl)propyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide (CID 51872779) is N-[(1R)-1-(1-adamantyl)propyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[(1R)-1-(1-adamantyl)propyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-[(1R)-1-(1-adamantyl)propyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide is CC[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(1R)-1-(1-adamantyl)propyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is RBZBSWAACYYVRY-YFZSMNHSSA-N. The full InChI is InChI=1S/C24H36N2O4S/c1-5-22(24-12-16-8-17(13-24)10-18(9-16)14-24)25-23(27)19-6-7-20(30-4)21(11-19)31(28,29)26-15(2)3/h6-7,11,15-18,22,26H,5,8-10,12-14H2,1-4H3,(H,25,27)/t16?,17?,18?,22-,24?/m1/s1.
What are the key properties of N-[(1R)-1-(1-adamantyl)propyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide?
N-[(1R)-1-(1-adamantyl)propyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 448.63 g/mol, XLogP of 4.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-adamantyl)propyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 51872779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).