2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-(2-methylpropyl)amino]acetic acid

C17H24N2O6S — CID 119192622

IUPAC2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-(2-methylpropyl)amino]acetic acid
SMILESCOc1ccc(C(=O)N(CC(=O)O)CC(C)C)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C17H24N2O6S/c1-11(2)9-19(10-16(20)21)17(22)12-4-7-14(25-3)15(8-12)26(23,24)18-13-5-6-13/h4,7-8,11,13,18H,5-6,9-10H2,1-3H3,(H,20,21)
InChIKeyMJKHDQQUMBHJIS-UHFFFAOYSA-N
MW384.45 g/mol
LogP1.32
Rot. Bonds9

About 2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-(2-methylpropyl)amino]acetic acid

2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-(2-methylpropyl)amino]acetic acid (PubChem CID 119192622) has the molecular formula C17H24N2O6S and a molecular weight of 384.45 g/mol. Its IUPAC name is 2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-(2-methylpropyl)amino]acetic acid
PubChem CID119192622
Molecular FormulaC17H24N2O6S
Molecular Weight384.45 g/mol
Exact Mass384.14
IUPAC Name2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-(2-methylpropyl)amino]acetic acid
SMILESCOc1ccc(C(=O)N(CC(=O)O)CC(C)C)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C17H24N2O6S/c1-11(2)9-19(10-16(20)21)17(22)12-4-7-14(25-3)15(8-12)26(23,24)18-13-5-6-13/h4,7-8,11,13,18H,5-6,9-10H2,1-3H3,(H,20,21)
InChIKeyMJKHDQQUMBHJIS-UHFFFAOYSA-N
XLogP1.32
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-ethylamino]acetic acid
CID 119205722
2-[(3-methoxy-4-methylbenzoyl)-(2-methylpropyl)amino]acetic acid
CID 62033906
(2S)-2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]-3-methylbutanoic acid
CID 119360553
3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid
CID 55067218
3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249130
3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119502368
2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]butanoic acid
CID 119223228
2-methylprop-2-enyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 9380316
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 7991178
3-(cyclopropylsulfamoyl)-4-methoxy-N-(3-methoxypropyl)benzamide
CID 9439194
[(2R)-1-amino-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 8700551
3-(cyclopentylsulfamoyl)-4-methoxy-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 27833083

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-(2-methylpropyl)amino]acetic acid (CID 119192622) is 2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-(2-methylpropyl)amino]acetic acid is COc1ccc(C(=O)N(CC(=O)O)CC(C)C)cc1S(=O)(=O)NC1CC1.
What is the InChIKey of 2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-(2-methylpropyl)amino]acetic acid?
The InChIKey is MJKHDQQUMBHJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O6S/c1-11(2)9-19(10-16(20)21)17(22)12-4-7-14(25-3)15(8-12)26(23,24)18-13-5-6-13/h4,7-8,11,13,18H,5-6,9-10H2,1-3H3,(H,20,21).
What are the key properties of 2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-(2-methylpropyl)amino]acetic acid?
2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-(2-methylpropyl)amino]acetic acid has a molecular weight of 384.45 g/mol, XLogP of 1.32, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 119192622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).