(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

C30H34N2O7S — CID 90154014

IUPAC(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
SMILESCOC(CNS(=O)(=O)c1ccc2c(c1)OCCO2)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C30H34N2O7S/c1-37-23(19-31-40(35,36)24-11-12-27-28(18-24)39-14-13-38-27)16-22(15-20-7-3-2-4-8-20)30(34)32-29-25-10-6-5-9-21(25)17-26(29)33/h2-12,18,22-23,26,29,31,33H,13-17,19H2,1H3,(H,32,34)/t22-,23?,26+,29+/m1/s1
InChIKeyGHGKYWZRFPNWRT-AMJLPBMBSA-N
MW566.68 g/mol
LogP2.77
Rot. Bonds11

About (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

(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 (PubChem CID 90154014) has the molecular formula C30H34N2O7S and a molecular weight of 566.68 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID90154014
Molecular FormulaC30H34N2O7S
Molecular Weight566.68 g/mol
Exact Mass566.21
IUPAC Name(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
SMILESCOC(CNS(=O)(=O)c1ccc2c(c1)OCCO2)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C30H34N2O7S/c1-37-23(19-31-40(35,36)24-11-12-27-28(18-24)39-14-13-38-27)16-22(15-20-7-3-2-4-8-20)30(34)32-29-25-10-6-5-9-21(25)17-26(29)33/h2-12,18,22-23,26,29,31,33H,13-17,19H2,1H3,(H,32,34)/t22-,23?,26+,29+/m1/s1
InChIKeyGHGKYWZRFPNWRT-AMJLPBMBSA-N
XLogP2.77
TPSA123.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.68
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,4S)-2-benzyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methoxy-N-[(1S,2R)-2-methoxy-2,3-dihydro-1H-inden-1-yl]pentanamide
CID 118334927
(2R,4S)-5-[(4-acetylphenyl)sulfonylamino]-2-benzyl-4-methoxy-N-[(1S,2R)-2-methoxy-2,3-dihydro-1H-inden-1-yl]pentanamide
CID 118334929
(2R)-5-(1,3-benzodioxol-5-ylsulfonylamino)-2-benzyl-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-oxopentanamide
CID 144626162
5-(1,3-benzodioxol-5-ylsulfonylamino)-2-ethyl-4-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)pentanamide
CID 123830922
(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
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
(2R,6R)-2,6-dibenzyl-4-hydroxy-N,N'-bis[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]heptanediamide
CID 59923169
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-2-methoxypropanoic acid
CID 104936736
(2R,4S)-2-benzyl-4-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-[2-(methoxymethoxy)phenyl]pentanamide
CID 5480793
4-amino-5-[(4-chlorophenyl)sulfonylamino]-2-ethyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)pentanamide
CID 123179033
2-benzyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-(hydroxymethyl)-5-[(4-methoxyphenyl)sulfanylamino]pentanamide
CID 144626010

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COC(CNS(=O)(=O)c1ccc2c(c1)OCCO2)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@@H]1O.
What is the InChIKey of (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?
The InChIKey is GHGKYWZRFPNWRT-AMJLPBMBSA-N. The full InChI is InChI=1S/C30H34N2O7S/c1-37-23(19-31-40(35,36)24-11-12-27-28(18-24)39-14-13-38-27)16-22(15-20-7-3-2-4-8-20)30(34)32-29-25-10-6-5-9-21(25)17-26(29)33/h2-12,18,22-23,26,29,31,33H,13-17,19H2,1H3,(H,32,34)/t22-,23?,26+,29+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 566.68 g/mol, XLogP of 2.77, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 90154014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).