methyl (2S)-2-[[3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzoyl]amino]propanoate

C18H19BrN2O6S — CID 25342326

IUPACmethyl (2S)-2-[[3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzoyl]amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C18H19BrN2O6S/c1-11(18(23)27-3)20-17(22)12-4-9-15(26-2)16(10-12)28(24,25)21-14-7-5-13(19)6-8-14/h4-11,21H,1-3H3,(H,20,22)/t11-/m0/s1
InChIKeyMSLGXGZCEJMNGA-NSHDSACASA-N
MW471.33 g/mol
LogP2.55
Rot. Bonds7

About methyl (2S)-2-[[3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzoyl]amino]propanoate

methyl (2S)-2-[[3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzoyl]amino]propanoate (PubChem CID 25342326) has the molecular formula C18H19BrN2O6S and a molecular weight of 471.33 g/mol. Its IUPAC name is methyl (2S)-2-[[3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzoyl]amino]propanoate
PubChem CID25342326
Molecular FormulaC18H19BrN2O6S
Molecular Weight471.33 g/mol
Exact Mass470.01
IUPAC Namemethyl (2S)-2-[[3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzoyl]amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C18H19BrN2O6S/c1-11(18(23)27-3)20-17(22)12-4-9-15(26-2)16(10-12)28(24,25)21-14-7-5-13(19)6-8-14/h4-11,21H,1-3H3,(H,20,22)/t11-/m0/s1
InChIKeyMSLGXGZCEJMNGA-NSHDSACASA-N
XLogP2.55
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.33
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl (2S)-2-[[3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzoyl]amino]propanoate with MolForge

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Related Compounds

3-[(4-bromophenyl)sulfamoyl]-4-methoxy-N-(3-methylbutan-2-yl)benzamide
CID 43016571
3-[(4-bromophenyl)sulfamoyl]-N-butan-2-yl-4-methoxybenzamide
CID 43002606
3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzamide
CID 166186504
3-[(4-bromophenyl)sulfamoyl]-N-cyclohexyl-4-methoxybenzamide
CID 55346445
N-[1-(ethylamino)-1-oxopropan-2-yl]-3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzamide
CID 24595720
methyl (2S)-2-[(3-bromo-4-methoxybenzoyl)amino]propanoate
CID 47337375
methyl 2-[(4-bromobenzoyl)amino]propanoate
CID 531405
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26951683
4-bromo-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]benzamide
CID 34081382
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-4-fluorobenzamide
CID 26850573
N-[4-[(5-bromo-2-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide
CID 26965710
3-[(4-bromophenyl)sulfamoyl]-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 26887067

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzoyl]amino]propanoate?
The IUPAC name of methyl (2S)-2-[[3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzoyl]amino]propanoate (CID 25342326) is methyl (2S)-2-[[3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzoyl]amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[[3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzoyl]amino]propanoate?
The canonical SMILES for methyl (2S)-2-[[3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzoyl]amino]propanoate is COC(=O)[C@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(Br)cc2)c1.
What is the InChIKey of methyl (2S)-2-[[3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzoyl]amino]propanoate?
The InChIKey is MSLGXGZCEJMNGA-NSHDSACASA-N. The full InChI is InChI=1S/C18H19BrN2O6S/c1-11(18(23)27-3)20-17(22)12-4-9-15(26-2)16(10-12)28(24,25)21-14-7-5-13(19)6-8-14/h4-11,21H,1-3H3,(H,20,22)/t11-/m0/s1.
What are the key properties of methyl (2S)-2-[[3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzoyl]amino]propanoate?
methyl (2S)-2-[[3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzoyl]amino]propanoate has a molecular weight of 471.33 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzoyl]amino]propanoate is sourced from PubChem (CID 25342326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).