(2R)-2-(1-adamantyl)-2-[[4-(diethylsulfamoyl)benzoyl]amino]acetic acid

C23H32N2O5S — CID 7154543

IUPAC(2R)-2-(1-adamantyl)-2-[[4-(diethylsulfamoyl)benzoyl]amino]acetic acid
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C23H32N2O5S/c1-3-25(4-2)31(29,30)19-7-5-18(6-8-19)21(26)24-20(22(27)28)23-12-15-9-16(13-23)11-17(10-15)14-23/h5-8,15-17,20H,3-4,9-14H2,1-2H3,(H,24,26)(H,27,28)/t15?,16?,17?,20-,23?/m0/s1
InChIKeyTZADSSAOJALDOM-SXYIGIQMSA-N
MW448.59 g/mol
LogP3.12
Rot. Bonds8

About (2R)-2-(1-adamantyl)-2-[[4-(diethylsulfamoyl)benzoyl]amino]acetic acid

(2R)-2-(1-adamantyl)-2-[[4-(diethylsulfamoyl)benzoyl]amino]acetic acid (PubChem CID 7154543) has the molecular formula C23H32N2O5S and a molecular weight of 448.59 g/mol. Its IUPAC name is (2R)-2-(1-adamantyl)-2-[[4-(diethylsulfamoyl)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name(2R)-2-(1-adamantyl)-2-[[4-(diethylsulfamoyl)benzoyl]amino]acetic acid
PubChem CID7154543
Molecular FormulaC23H32N2O5S
Molecular Weight448.59 g/mol
Exact Mass448.20
IUPAC Name(2R)-2-(1-adamantyl)-2-[[4-(diethylsulfamoyl)benzoyl]amino]acetic acid
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C23H32N2O5S/c1-3-25(4-2)31(29,30)19-7-5-18(6-8-19)21(26)24-20(22(27)28)23-12-15-9-16(13-23)11-17(10-15)14-23/h5-8,15-17,20H,3-4,9-14H2,1-2H3,(H,24,26)(H,27,28)/t15?,16?,17?,20-,23?/m0/s1
InChIKeyTZADSSAOJALDOM-SXYIGIQMSA-N
XLogP3.12
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-adamantyl)-2-[(4-fluorobenzoyl)amino]acetic acid
CID 2834333
2-[[4-(diethylsulfamoyl)benzoyl]amino]-4-methoxybutanoic acid
CID 120702262
(2R)-2-[[4-(diethylsulfamoyl)benzoyl]amino]-2-phenylacetic acid
CID 119367792
N-[(1S)-1-(1-adamantyl)ethyl]-4-(difluoromethylsulfonyl)benzamide
CID 7860707
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-iodobenzamide
CID 55339070
4-(diethylsulfamoyl)-N-[4-[3-(4-methylphenyl)-1-adamantyl]-1,3-thiazol-2-yl]benzamide
CID 3268194
N,N-diethyl-4-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 2093173
4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
methyl (2R)-2-(1-adamantyl)-2-[(4-nitrobenzoyl)amino]acetate
CID 7065665
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-methoxybenzamide
CID 51151516
4-(diethylsulfamoyl)-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
CID 8928237
methyl (2S)-2-(1-adamantyl)-2-[(4-methylbenzoyl)amino]acetate
CID 7079957

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-adamantyl)-2-[[4-(diethylsulfamoyl)benzoyl]amino]acetic acid?
The IUPAC name of (2R)-2-(1-adamantyl)-2-[[4-(diethylsulfamoyl)benzoyl]amino]acetic acid (CID 7154543) is (2R)-2-(1-adamantyl)-2-[[4-(diethylsulfamoyl)benzoyl]amino]acetic acid.
What is the SMILES notation for (2R)-2-(1-adamantyl)-2-[[4-(diethylsulfamoyl)benzoyl]amino]acetic acid?
The canonical SMILES for (2R)-2-(1-adamantyl)-2-[[4-(diethylsulfamoyl)benzoyl]amino]acetic acid is CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)O)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of (2R)-2-(1-adamantyl)-2-[[4-(diethylsulfamoyl)benzoyl]amino]acetic acid?
The InChIKey is TZADSSAOJALDOM-SXYIGIQMSA-N. The full InChI is InChI=1S/C23H32N2O5S/c1-3-25(4-2)31(29,30)19-7-5-18(6-8-19)21(26)24-20(22(27)28)23-12-15-9-16(13-23)11-17(10-15)14-23/h5-8,15-17,20H,3-4,9-14H2,1-2H3,(H,24,26)(H,27,28)/t15?,16?,17?,20-,23?/m0/s1.
What are the key properties of (2R)-2-(1-adamantyl)-2-[[4-(diethylsulfamoyl)benzoyl]amino]acetic acid?
(2R)-2-(1-adamantyl)-2-[[4-(diethylsulfamoyl)benzoyl]amino]acetic acid has a molecular weight of 448.59 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-adamantyl)-2-[[4-(diethylsulfamoyl)benzoyl]amino]acetic acid is sourced from PubChem (CID 7154543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).