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

C16H24N2O6S — CID 119364324

IUPAC(2R)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]-4-methylpentanoic acid
SMILESCOc1ccc(C(=O)N[C@H](CC(C)C)C(=O)O)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C16H24N2O6S/c1-10(2)8-12(16(20)21)17-15(19)11-6-7-13(24-5)14(9-11)25(22,23)18(3)4/h6-7,9-10,12H,8H2,1-5H3,(H,17,19)(H,20,21)/t12-/m1/s1
InChIKeyPXJHROROPZVVSY-GFCCVEGCSA-N
MW372.44 g/mol
LogP1.17
Rot. Bonds8

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

(2R)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]-4-methylpentanoic acid (PubChem CID 119364324) has the molecular formula C16H24N2O6S and a molecular weight of 372.44 g/mol. Its IUPAC name is (2R)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]-4-methylpentanoic acid
PubChem CID119364324
Molecular FormulaC16H24N2O6S
Molecular Weight372.44 g/mol
Exact Mass372.14
IUPAC Name(2R)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]-4-methylpentanoic acid
SMILESCOc1ccc(C(=O)N[C@H](CC(C)C)C(=O)O)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C16H24N2O6S/c1-10(2)8-12(16(20)21)17-15(19)11-6-7-13(24-5)14(9-11)25(22,23)18(3)4/h6-7,9-10,12H,8H2,1-5H3,(H,17,19)(H,20,21)/t12-/m1/s1
InChIKeyPXJHROROPZVVSY-GFCCVEGCSA-N
XLogP1.17
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]propanoic acid
CID 119370205
(E)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]hex-4-enoic acid
CID 120693885
3-(dimethylsulfamoyl)-4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzamide
CID 92517191
(2R)-2-[(3-bromo-4-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 78975418
N-[(2S)-2-(dimethylamino)propyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 126838118
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 55579730
(2R)-2-[(3,4-diethoxybenzoyl)amino]-4-methylpentanoic acid
CID 119364336
N-(2-aminoethyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide;hydrochloride
CID 119383906
N-(1-cyanobutyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 71934225
N-[1-(4-chlorophenyl)-2-methylpropyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 24600978
3-(dimethylsulfamoyl)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-4-methoxybenzamide
CID 95782737
3-(dimethylsulfamoyl)-N-[(2R)-2-(ethylamino)propyl]-4-methoxybenzamide
CID 120650659

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]-4-methylpentanoic acid (CID 119364324) is (2R)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]-4-methylpentanoic acid is COc1ccc(C(=O)N[C@H](CC(C)C)C(=O)O)cc1S(=O)(=O)N(C)C.
What is the InChIKey of (2R)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]-4-methylpentanoic acid?
The InChIKey is PXJHROROPZVVSY-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24N2O6S/c1-10(2)8-12(16(20)21)17-15(19)11-6-7-13(24-5)14(9-11)25(22,23)18(3)4/h6-7,9-10,12H,8H2,1-5H3,(H,17,19)(H,20,21)/t12-/m1/s1.
What are the key properties of (2R)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]-4-methylpentanoic acid?
(2R)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]-4-methylpentanoic acid has a molecular weight of 372.44 g/mol, XLogP of 1.17, 8 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]-4-methylpentanoic acid is sourced from PubChem (CID 119364324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).