N-[4-[[(2R)-2-(1-adamantyloxy)propyl]sulfamoyl]phenyl]acetamide

C21H30N2O4S — CID 7304987

IUPACN-[4-[[(2R)-2-(1-adamantyloxy)propyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](C)OC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C21H30N2O4S/c1-14(27-21-10-16-7-17(11-21)9-18(8-16)12-21)13-22-28(25,26)20-5-3-19(4-6-20)23-15(2)24/h3-6,14,16-18,22H,7-13H2,1-2H3,(H,23,24)/t14-,16?,17?,18?,21?/m1/s1
InChIKeyNKLWLFZBFVSTSF-RWLLOJOVSA-N
MW406.55 g/mol
LogP3.30
Rot. Bonds7

About N-[4-[[(2R)-2-(1-adamantyloxy)propyl]sulfamoyl]phenyl]acetamide

N-[4-[[(2R)-2-(1-adamantyloxy)propyl]sulfamoyl]phenyl]acetamide (PubChem CID 7304987) has the molecular formula C21H30N2O4S and a molecular weight of 406.55 g/mol. Its IUPAC name is N-[4-[[(2R)-2-(1-adamantyloxy)propyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(2R)-2-(1-adamantyloxy)propyl]sulfamoyl]phenyl]acetamide
PubChem CID7304987
Molecular FormulaC21H30N2O4S
Molecular Weight406.55 g/mol
Exact Mass406.19
IUPAC NameN-[4-[[(2R)-2-(1-adamantyloxy)propyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](C)OC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C21H30N2O4S/c1-14(27-21-10-16-7-17(11-21)9-18(8-16)12-21)13-22-28(25,26)20-5-3-19(4-6-20)23-15(2)24/h3-6,14,16-18,22H,7-13H2,1-2H3,(H,23,24)/t14-,16?,17?,18?,21?/m1/s1
InChIKeyNKLWLFZBFVSTSF-RWLLOJOVSA-N
XLogP3.30
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-adamantyloxy)propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 5306889
methyl (2R)-3-[(4-acetamidophenyl)sulfonylamino]-2-methylpropanoate
CID 96543237
methyl 3-[(4-acetamidophenyl)sulfonylamino]-2-methylpropanoate
CID 71847844
N-[4-[[(2S)-2-[(4-acetamidophenyl)sulfonylamino]propyl]sulfamoyl]phenyl]acetamide
CID 2179183
N-[4-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylsulfamoyl]phenyl]acetamide
CID 7309353
N-[4-[[2-methyl-3-(methylamino)propyl]sulfamoyl]phenyl]acetamide
CID 115302862
N-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]phenyl]acetamide
CID 63764900
N-[(2S)-2-(1-adamantyloxy)propyl]-4-(dimethylsulfamoyl)benzamide
CID 7319718
N-[4-[(2-bromo-4-methylpentyl)sulfamoyl]phenyl]acetamide
CID 107158226
N-[4-(2,3-dihydroxypropylsulfamoyl)phenyl]acetamide
CID 66176694
N-[4-(2-morpholin-4-ylpropylsulfamoyl)phenyl]acetamide
CID 43064581
N-[4-(2-methylpropoxysulfamoyl)phenyl]acetamide
CID 82716009

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2R)-2-(1-adamantyloxy)propyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(2R)-2-(1-adamantyloxy)propyl]sulfamoyl]phenyl]acetamide (CID 7304987) is N-[4-[[(2R)-2-(1-adamantyloxy)propyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(2R)-2-(1-adamantyloxy)propyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(2R)-2-(1-adamantyloxy)propyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](C)OC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-[4-[[(2R)-2-(1-adamantyloxy)propyl]sulfamoyl]phenyl]acetamide?
The InChIKey is NKLWLFZBFVSTSF-RWLLOJOVSA-N. The full InChI is InChI=1S/C21H30N2O4S/c1-14(27-21-10-16-7-17(11-21)9-18(8-16)12-21)13-22-28(25,26)20-5-3-19(4-6-20)23-15(2)24/h3-6,14,16-18,22H,7-13H2,1-2H3,(H,23,24)/t14-,16?,17?,18?,21?/m1/s1.
What are the key properties of N-[4-[[(2R)-2-(1-adamantyloxy)propyl]sulfamoyl]phenyl]acetamide?
N-[4-[[(2R)-2-(1-adamantyloxy)propyl]sulfamoyl]phenyl]acetamide has a molecular weight of 406.55 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2R)-2-(1-adamantyloxy)propyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 7304987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).