3-methyl-2-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]pentanoic acid

C17H26N2O6S — CID 119212048

IUPAC3-methyl-2-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]pentanoic acid
SMILESCCC(C)C(NC(=O)CS(=O)(=O)Nc1ccc(OC(C)C)cc1)C(=O)O
InChIInChI=1S/C17H26N2O6S/c1-5-12(4)16(17(21)22)18-15(20)10-26(23,24)19-13-6-8-14(9-7-13)25-11(2)3/h6-9,11-12,16,19H,5,10H2,1-4H3,(H,18,20)(H,21,22)
InChIKeyJDNNMCXTAVWRBO-UHFFFAOYSA-N
MW386.47 g/mol
LogP1.83
Rot. Bonds10

About 3-methyl-2-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]pentanoic acid

3-methyl-2-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]pentanoic acid (PubChem CID 119212048) has the molecular formula C17H26N2O6S and a molecular weight of 386.47 g/mol. Its IUPAC name is 3-methyl-2-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name3-methyl-2-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]pentanoic acid
PubChem CID119212048
Molecular FormulaC17H26N2O6S
Molecular Weight386.47 g/mol
Exact Mass386.15
IUPAC Name3-methyl-2-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]pentanoic acid
SMILESCCC(C)C(NC(=O)CS(=O)(=O)Nc1ccc(OC(C)C)cc1)C(=O)O
InChIInChI=1S/C17H26N2O6S/c1-5-12(4)16(17(21)22)18-15(20)10-26(23,24)19-13-6-8-14(9-7-13)25-11(2)3/h6-9,11-12,16,19H,5,10H2,1-4H3,(H,18,20)(H,21,22)
InChIKeyJDNNMCXTAVWRBO-UHFFFAOYSA-N
XLogP1.83
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-methyl-2-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]pentanoic acid with MolForge

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Related Compounds

N-(4-methylphenyl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide
CID 55826239
3-methyl-2-[(4-propan-2-yloxybenzoyl)amino]pentanoic acid
CID 43092234
N-piperidin-4-yl-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide
CID 119387593
N-(3-methylsulfonylphenyl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide
CID 55975417
2-[propan-2-yl-[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]acetic acid
CID 119198613
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-pyrrolidin-3-ylacetamide;hydrochloride
CID 119451342
2-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]-3-methylpentanoic acid
CID 119211861
2-oxo-2-piperazin-1-yl-N-(4-propan-2-yloxyphenyl)ethanesulfonamide
CID 119401538
N-(2-piperazin-1-ylethyl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide;hydrochloride
CID 119446567
2-[2-[2-(2,5-dimethylphenoxy)acetyl]hydrazinyl]-2-oxo-N-(4-propan-2-yloxyphenyl)ethanesulfonamide
CID 55973608
N-[(4-nitrophenyl)methyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide
CID 55982640

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]pentanoic acid?
The IUPAC name of 3-methyl-2-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]pentanoic acid (CID 119212048) is 3-methyl-2-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]pentanoic acid.
What is the SMILES notation for 3-methyl-2-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]pentanoic acid?
The canonical SMILES for 3-methyl-2-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]pentanoic acid is CCC(C)C(NC(=O)CS(=O)(=O)Nc1ccc(OC(C)C)cc1)C(=O)O.
What is the InChIKey of 3-methyl-2-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]pentanoic acid?
The InChIKey is JDNNMCXTAVWRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O6S/c1-5-12(4)16(17(21)22)18-15(20)10-26(23,24)19-13-6-8-14(9-7-13)25-11(2)3/h6-9,11-12,16,19H,5,10H2,1-4H3,(H,18,20)(H,21,22).
What are the key properties of 3-methyl-2-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]pentanoic acid?
3-methyl-2-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]pentanoic acid has a molecular weight of 386.47 g/mol, XLogP of 1.83, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]pentanoic acid is sourced from PubChem (CID 119212048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).