5-[(4-cyanophenyl)sulfonylamino]-4-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-(2-phenylethyl)pentanamide

C29H31N3O5S — CID 123882779

IUPAC5-[(4-cyanophenyl)sulfonylamino]-4-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-(2-phenylethyl)pentanamide
SMILESN#Cc1ccc(S(=O)(=O)NCC(O)CC(CCc2ccccc2)C(=O)NC2c3ccccc3CC2O)cc1
InChIInChI=1S/C29H31N3O5S/c30-18-21-11-14-25(15-12-21)38(36,37)31-19-24(33)16-23(13-10-20-6-2-1-3-7-20)29(35)32-28-26-9-5-4-8-22(26)17-27(28)34/h1-9,11-12,14-15,23-24,27-28,31,33-34H,10,13,16-17,19H2,(H,32,35)
InChIKeyQOSPCBMGKBEMQT-UHFFFAOYSA-N
MW533.65 g/mol
LogP2.61
Rot. Bonds11

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

5-[(4-cyanophenyl)sulfonylamino]-4-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-(2-phenylethyl)pentanamide (PubChem CID 123882779) has the molecular formula C29H31N3O5S and a molecular weight of 533.65 g/mol. Its IUPAC name is 5-[(4-cyanophenyl)sulfonylamino]-4-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-(2-phenylethyl)pentanamide.

Molecular Properties

Compound Name5-[(4-cyanophenyl)sulfonylamino]-4-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-(2-phenylethyl)pentanamide
PubChem CID123882779
Molecular FormulaC29H31N3O5S
Molecular Weight533.65 g/mol
Exact Mass533.20
IUPAC Name5-[(4-cyanophenyl)sulfonylamino]-4-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-(2-phenylethyl)pentanamide
SMILESN#Cc1ccc(S(=O)(=O)NCC(O)CC(CCc2ccccc2)C(=O)NC2c3ccccc3CC2O)cc1
InChIInChI=1S/C29H31N3O5S/c30-18-21-11-14-25(15-12-21)38(36,37)31-19-24(33)16-23(13-10-20-6-2-1-3-7-20)29(35)32-28-26-9-5-4-8-22(26)17-27(28)34/h1-9,11-12,14-15,23-24,27-28,31,33-34H,10,13,16-17,19H2,(H,32,35)
InChIKeyQOSPCBMGKBEMQT-UHFFFAOYSA-N
XLogP2.61
TPSA139.52 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.65
LogP ≤ 52.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-cyanophenyl)sulfonylamino]-4-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-(2-phenylethyl)pentanamide?
The IUPAC name of 5-[(4-cyanophenyl)sulfonylamino]-4-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-(2-phenylethyl)pentanamide (CID 123882779) is 5-[(4-cyanophenyl)sulfonylamino]-4-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-(2-phenylethyl)pentanamide.
What is the SMILES notation for 5-[(4-cyanophenyl)sulfonylamino]-4-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-(2-phenylethyl)pentanamide?
The canonical SMILES for 5-[(4-cyanophenyl)sulfonylamino]-4-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-(2-phenylethyl)pentanamide is N#Cc1ccc(S(=O)(=O)NCC(O)CC(CCc2ccccc2)C(=O)NC2c3ccccc3CC2O)cc1.
What is the InChIKey of 5-[(4-cyanophenyl)sulfonylamino]-4-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-(2-phenylethyl)pentanamide?
The InChIKey is QOSPCBMGKBEMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O5S/c30-18-21-11-14-25(15-12-21)38(36,37)31-19-24(33)16-23(13-10-20-6-2-1-3-7-20)29(35)32-28-26-9-5-4-8-22(26)17-27(28)34/h1-9,11-12,14-15,23-24,27-28,31,33-34H,10,13,16-17,19H2,(H,32,35).
What are the key properties of 5-[(4-cyanophenyl)sulfonylamino]-4-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-(2-phenylethyl)pentanamide?
5-[(4-cyanophenyl)sulfonylamino]-4-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-(2-phenylethyl)pentanamide has a molecular weight of 533.65 g/mol, XLogP of 2.61, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-cyanophenyl)sulfonylamino]-4-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-(2-phenylethyl)pentanamide is sourced from PubChem (CID 123882779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).