4-amino-5-[(4-chlorophenyl)sulfonylamino]-2-ethyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)pentanamide

C22H28ClN3O4S — CID 123179033

IUPAC4-amino-5-[(4-chlorophenyl)sulfonylamino]-2-ethyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)pentanamide
SMILESCCC(CC(N)CNS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1c2ccccc2CC1O
InChIInChI=1S/C22H28ClN3O4S/c1-2-14(22(28)26-21-19-6-4-3-5-15(19)12-20(21)27)11-17(24)13-25-31(29,30)18-9-7-16(23)8-10-18/h3-10,14,17,20-21,25,27H,2,11-13,24H2,1H3,(H,26,28)
InChIKeyDQYCJIODDGESAO-UHFFFAOYSA-N
MW466.00 g/mol
LogP2.14
Rot. Bonds9

About 4-amino-5-[(4-chlorophenyl)sulfonylamino]-2-ethyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)pentanamide

4-amino-5-[(4-chlorophenyl)sulfonylamino]-2-ethyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)pentanamide (PubChem CID 123179033) has the molecular formula C22H28ClN3O4S and a molecular weight of 466.00 g/mol. Its IUPAC name is 4-amino-5-[(4-chlorophenyl)sulfonylamino]-2-ethyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)pentanamide.

Molecular Properties

Compound Name4-amino-5-[(4-chlorophenyl)sulfonylamino]-2-ethyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)pentanamide
PubChem CID123179033
Molecular FormulaC22H28ClN3O4S
Molecular Weight466.00 g/mol
Exact Mass465.15
IUPAC Name4-amino-5-[(4-chlorophenyl)sulfonylamino]-2-ethyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)pentanamide
SMILESCCC(CC(N)CNS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1c2ccccc2CC1O
InChIInChI=1S/C22H28ClN3O4S/c1-2-14(22(28)26-21-19-6-4-3-5-15(19)12-20(21)27)11-17(24)13-25-31(29,30)18-9-7-16(23)8-10-18/h3-10,14,17,20-21,25,27H,2,11-13,24H2,1H3,(H,26,28)
InChIKeyDQYCJIODDGESAO-UHFFFAOYSA-N
XLogP2.14
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.00
LogP ≤ 52.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide
CID 103870017
5-(1,3-benzodioxol-5-ylsulfonylamino)-2-ethyl-4-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)pentanamide
CID 123830922
2-benzyl-4-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-[(4-propan-2-ylphenyl)sulfonylamino]pentanamide
CID 123549419
4-[[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]sulfamoyl]benzoic acid
CID 118334835
5-[(4-cyanophenyl)sulfonylamino]-4-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-(2-phenylethyl)pentanamide
CID 123882779
(2S)-2-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 16720820
5-[(4-acetamidophenyl)sulfonylamino]-2-benzyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-prop-1-en-2-yloxypentanamide
CID 123298962
(2S)-2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylpentanamide
CID 107222220
(2R,4S)-2-benzyl-5-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide
CID 118334911
(2R)-2-benzyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methoxypentanamide
CID 90154014
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[(4-iodophenyl)sulfonylamino]acetamide
CID 166365056
2-benzyl-4-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]pentanamide
CID 123968423

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[(4-chlorophenyl)sulfonylamino]-2-ethyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)pentanamide?
The IUPAC name of 4-amino-5-[(4-chlorophenyl)sulfonylamino]-2-ethyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)pentanamide (CID 123179033) is 4-amino-5-[(4-chlorophenyl)sulfonylamino]-2-ethyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)pentanamide.
What is the SMILES notation for 4-amino-5-[(4-chlorophenyl)sulfonylamino]-2-ethyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)pentanamide?
The canonical SMILES for 4-amino-5-[(4-chlorophenyl)sulfonylamino]-2-ethyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)pentanamide is CCC(CC(N)CNS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1c2ccccc2CC1O.
What is the InChIKey of 4-amino-5-[(4-chlorophenyl)sulfonylamino]-2-ethyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)pentanamide?
The InChIKey is DQYCJIODDGESAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O4S/c1-2-14(22(28)26-21-19-6-4-3-5-15(19)12-20(21)27)11-17(24)13-25-31(29,30)18-9-7-16(23)8-10-18/h3-10,14,17,20-21,25,27H,2,11-13,24H2,1H3,(H,26,28).
What are the key properties of 4-amino-5-[(4-chlorophenyl)sulfonylamino]-2-ethyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)pentanamide?
4-amino-5-[(4-chlorophenyl)sulfonylamino]-2-ethyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)pentanamide has a molecular weight of 466.00 g/mol, XLogP of 2.14, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[(4-chlorophenyl)sulfonylamino]-2-ethyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)pentanamide is sourced from PubChem (CID 123179033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).