2-[(2S)-1-[cyclopentyl(methyl)sulfamoyl]-2,3-dihydroindol-2-yl]acetic acid

C16H22N2O4S — CID 166287715

IUPAC2-[(2S)-1-[cyclopentyl(methyl)sulfamoyl]-2,3-dihydroindol-2-yl]acetic acid
SMILESCN(C1CCCC1)S(=O)(=O)N1c2ccccc2C[C@H]1CC(=O)O
InChIInChI=1S/C16H22N2O4S/c1-17(13-7-3-4-8-13)23(21,22)18-14(11-16(19)20)10-12-6-2-5-9-15(12)18/h2,5-6,9,13-14H,3-4,7-8,10-11H2,1H3,(H,19,20)/t14-/m0/s1
InChIKeyUEJXZKVRDLNPMH-AWEZNQCLSA-N
MW338.43 g/mol
LogP2.01
Rot. Bonds5

About 2-[(2S)-1-[cyclopentyl(methyl)sulfamoyl]-2,3-dihydroindol-2-yl]acetic acid

2-[(2S)-1-[cyclopentyl(methyl)sulfamoyl]-2,3-dihydroindol-2-yl]acetic acid (PubChem CID 166287715) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is 2-[(2S)-1-[cyclopentyl(methyl)sulfamoyl]-2,3-dihydroindol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-1-[cyclopentyl(methyl)sulfamoyl]-2,3-dihydroindol-2-yl]acetic acid
PubChem CID166287715
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC Name2-[(2S)-1-[cyclopentyl(methyl)sulfamoyl]-2,3-dihydroindol-2-yl]acetic acid
SMILESCN(C1CCCC1)S(=O)(=O)N1c2ccccc2C[C@H]1CC(=O)O
InChIInChI=1S/C16H22N2O4S/c1-17(13-7-3-4-8-13)23(21,22)18-14(11-16(19)20)10-12-6-2-5-9-15(12)18/h2,5-6,9,13-14H,3-4,7-8,10-11H2,1H3,(H,19,20)/t14-/m0/s1
InChIKeyUEJXZKVRDLNPMH-AWEZNQCLSA-N
XLogP2.01
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethyl-2,3-dihydroindol-2-yl)acetic acid
CID 115106317
1-cyclohexylsulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 61066000
(2S)-1-(dipropylsulfamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 154745822
1-methylsulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 3486672
2-[1-[cyclohexyl(methyl)sulfamoyl]piperidin-3-yl]acetic acid
CID 62690776
2-[cyclohexyl(methyl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 54817931
2-[cyclopentyl(2,3-dihydroindole-1-carbonyl)amino]acetic acid
CID 61189507
3-[4-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]propanoic acid
CID 7516346
2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-2-yl]acetic acid
CID 66364780
N-cyclopentyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide
CID 113159384
(2R)-2-ethyl-1-propan-2-ylsulfonyl-2,3-dihydroindole
CID 130412834
2-[[(2S)-1-methyl-2,3-dihydroindol-2-yl]methoxy]acetic acid
CID 170196802

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[cyclopentyl(methyl)sulfamoyl]-2,3-dihydroindol-2-yl]acetic acid?
The IUPAC name of 2-[(2S)-1-[cyclopentyl(methyl)sulfamoyl]-2,3-dihydroindol-2-yl]acetic acid (CID 166287715) is 2-[(2S)-1-[cyclopentyl(methyl)sulfamoyl]-2,3-dihydroindol-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-1-[cyclopentyl(methyl)sulfamoyl]-2,3-dihydroindol-2-yl]acetic acid?
The canonical SMILES for 2-[(2S)-1-[cyclopentyl(methyl)sulfamoyl]-2,3-dihydroindol-2-yl]acetic acid is CN(C1CCCC1)S(=O)(=O)N1c2ccccc2C[C@H]1CC(=O)O.
What is the InChIKey of 2-[(2S)-1-[cyclopentyl(methyl)sulfamoyl]-2,3-dihydroindol-2-yl]acetic acid?
The InChIKey is UEJXZKVRDLNPMH-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-17(13-7-3-4-8-13)23(21,22)18-14(11-16(19)20)10-12-6-2-5-9-15(12)18/h2,5-6,9,13-14H,3-4,7-8,10-11H2,1H3,(H,19,20)/t14-/m0/s1.
What are the key properties of 2-[(2S)-1-[cyclopentyl(methyl)sulfamoyl]-2,3-dihydroindol-2-yl]acetic acid?
2-[(2S)-1-[cyclopentyl(methyl)sulfamoyl]-2,3-dihydroindol-2-yl]acetic acid has a molecular weight of 338.43 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[cyclopentyl(methyl)sulfamoyl]-2,3-dihydroindol-2-yl]acetic acid is sourced from PubChem (CID 166287715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).