2-[propan-2-yl-[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]acetic acid

C16H24N2O6S — CID 119198613

IUPAC2-[propan-2-yl-[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]acetic acid
SMILESCC(C)Oc1ccc(NS(=O)(=O)CC(=O)N(CC(=O)O)C(C)C)cc1
InChIInChI=1S/C16H24N2O6S/c1-11(2)18(9-16(20)21)15(19)10-25(22,23)17-13-5-7-14(8-6-13)24-12(3)4/h5-8,11-12,17H,9-10H2,1-4H3,(H,20,21)
InChIKeyMHNWNXWSBNBTJJ-UHFFFAOYSA-N
MW372.44 g/mol
LogP1.54
Rot. Bonds9

About 2-[propan-2-yl-[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]acetic acid

2-[propan-2-yl-[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]acetic acid (PubChem CID 119198613) has the molecular formula C16H24N2O6S and a molecular weight of 372.44 g/mol. Its IUPAC name is 2-[propan-2-yl-[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[propan-2-yl-[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]acetic acid
PubChem CID119198613
Molecular FormulaC16H24N2O6S
Molecular Weight372.44 g/mol
Exact Mass372.14
IUPAC Name2-[propan-2-yl-[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]acetic acid
SMILESCC(C)Oc1ccc(NS(=O)(=O)CC(=O)N(CC(=O)O)C(C)C)cc1
InChIInChI=1S/C16H24N2O6S/c1-11(2)18(9-16(20)21)15(19)10-25(22,23)17-13-5-7-14(8-6-13)24-12(3)4/h5-8,11-12,17H,9-10H2,1-4H3,(H,20,21)
InChIKeyMHNWNXWSBNBTJJ-UHFFFAOYSA-N
XLogP1.54
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[propan-2-yl-[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]acetic acid with MolForge

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Related Compounds

N-(4-methylphenyl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide
CID 55826239
3-methyl-2-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]pentanoic acid
CID 119212048
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide
CID 55975154
cis-(1R,3S)-3-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120677637
2-[(4-propan-2-yloxyphenyl)sulfamoyl]-N-propyl-N-pyrrolidin-3-ylacetamide
CID 119531108
N-piperidin-4-yl-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide
CID 119387593
2-oxo-2-piperazin-1-yl-N-(4-propan-2-yloxyphenyl)ethanesulfonamide
CID 119401538
N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide
CID 55821184
N-(2-cyanoethyl)-N-(oxan-4-yl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide
CID 56572573
2-[methyl-[(4-propan-2-yloxyphenyl)carbamoyl]amino]acetic acid
CID 43318594
2-[propan-2-yl-[2-(3-propan-2-yloxyphenyl)acetyl]amino]acetic acid
CID 119198334
2-[(4-propan-2-yloxyphenyl)sulfamoyl]-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119451342

Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl-[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]acetic acid?
The IUPAC name of 2-[propan-2-yl-[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]acetic acid (CID 119198613) is 2-[propan-2-yl-[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[propan-2-yl-[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]acetic acid?
The canonical SMILES for 2-[propan-2-yl-[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]acetic acid is CC(C)Oc1ccc(NS(=O)(=O)CC(=O)N(CC(=O)O)C(C)C)cc1.
What is the InChIKey of 2-[propan-2-yl-[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]acetic acid?
The InChIKey is MHNWNXWSBNBTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O6S/c1-11(2)18(9-16(20)21)15(19)10-25(22,23)17-13-5-7-14(8-6-13)24-12(3)4/h5-8,11-12,17H,9-10H2,1-4H3,(H,20,21).
What are the key properties of 2-[propan-2-yl-[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]acetic acid?
2-[propan-2-yl-[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]acetic acid has a molecular weight of 372.44 g/mol, XLogP of 1.54, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl-[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]acetic acid is sourced from PubChem (CID 119198613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).