(2R)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]propanoic acid

C13H18N2O6S — CID 119370205

IUPAC(2R)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]propanoic acid
SMILESCOc1ccc(C(=O)N[C@H](C)C(=O)O)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C13H18N2O6S/c1-8(13(17)18)14-12(16)9-5-6-10(21-4)11(7-9)22(19,20)15(2)3/h5-8H,1-4H3,(H,14,16)(H,17,18)/t8-/m1/s1
InChIKeyKCGJRDASCWEXAL-MRVPVSSYSA-N
MW330.36 g/mol
LogP0.15
Rot. Bonds6

About (2R)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]propanoic acid

(2R)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]propanoic acid (PubChem CID 119370205) has the molecular formula C13H18N2O6S and a molecular weight of 330.36 g/mol. Its IUPAC name is (2R)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]propanoic acid
PubChem CID119370205
Molecular FormulaC13H18N2O6S
Molecular Weight330.36 g/mol
Exact Mass330.09
IUPAC Name(2R)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]propanoic acid
SMILESCOc1ccc(C(=O)N[C@H](C)C(=O)O)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C13H18N2O6S/c1-8(13(17)18)14-12(16)9-5-6-10(21-4)11(7-9)22(19,20)15(2)3/h5-8H,1-4H3,(H,14,16)(H,17,18)/t8-/m1/s1
InChIKeyKCGJRDASCWEXAL-MRVPVSSYSA-N
XLogP0.15
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]-4-methylpentanoic acid
CID 119364324
3-(dimethylsulfamoyl)-4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzamide
CID 92517191
(E)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]hex-4-enoic acid
CID 120693885
N-[1-(2,4-difluorophenyl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 51150363
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 55579730
N-[(2S)-2-(dimethylamino)propyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 126838118
N-[1-(4-chlorophenyl)-2-methylpropyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 24600978
N-[(1R)-1-(1-adamantyl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 51544551
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 60596662
N-[(1S)-1-(3-bromophenyl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 28557745
3-(dimethylsulfamoyl)-4-methoxy-N-(4-propan-2-ylphenyl)benzamide
CID 45374027
N-(1-cyanobutyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 71934225

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]propanoic acid (CID 119370205) is (2R)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]propanoic acid is COc1ccc(C(=O)N[C@H](C)C(=O)O)cc1S(=O)(=O)N(C)C.
What is the InChIKey of (2R)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]propanoic acid?
The InChIKey is KCGJRDASCWEXAL-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H18N2O6S/c1-8(13(17)18)14-12(16)9-5-6-10(21-4)11(7-9)22(19,20)15(2)3/h5-8H,1-4H3,(H,14,16)(H,17,18)/t8-/m1/s1.
What are the key properties of (2R)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]propanoic acid?
(2R)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]propanoic acid has a molecular weight of 330.36 g/mol, XLogP of 0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]propanoic acid is sourced from PubChem (CID 119370205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).