(2S)-2-(benzenesulfonamido)-N-[(1S)-1-hydroxy-3-methyl-1-(3-oxo-2-phenylcyclopropen-1-yl)butan-2-yl]-4-methylpentanamide

C26H32N2O5S — CID 71655972

IUPAC(2S)-2-(benzenesulfonamido)-N-[(1S)-1-hydroxy-3-methyl-1-(3-oxo-2-phenylcyclopropen-1-yl)butan-2-yl]-4-methylpentanamide
SMILESCC(C)C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC(C(C)C)C(O)c1c(-c2ccccc2)c1=O
InChIInChI=1S/C26H32N2O5S/c1-16(2)15-20(28-34(32,33)19-13-9-6-10-14-19)26(31)27-23(17(3)4)25(30)22-21(24(22)29)18-11-7-5-8-12-18/h5-14,16-17,20,23,25,28,30H,15H2,1-4H3,(H,27,31)/t20-,23?,25?/m0/s1
InChIKeyAHGUSCIGPLCZRU-UPDUBSDMSA-N
MW484.62 g/mol
LogP3.16
Rot. Bonds11

About (2S)-2-(benzenesulfonamido)-N-[(1S)-1-hydroxy-3-methyl-1-(3-oxo-2-phenylcyclopropen-1-yl)butan-2-yl]-4-methylpentanamide

(2S)-2-(benzenesulfonamido)-N-[(1S)-1-hydroxy-3-methyl-1-(3-oxo-2-phenylcyclopropen-1-yl)butan-2-yl]-4-methylpentanamide (PubChem CID 71655972) has the molecular formula C26H32N2O5S and a molecular weight of 484.62 g/mol. Its IUPAC name is (2S)-2-(benzenesulfonamido)-N-[(1S)-1-hydroxy-3-methyl-1-(3-oxo-2-phenylcyclopropen-1-yl)butan-2-yl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-(benzenesulfonamido)-N-[(1S)-1-hydroxy-3-methyl-1-(3-oxo-2-phenylcyclopropen-1-yl)butan-2-yl]-4-methylpentanamide
PubChem CID71655972
Molecular FormulaC26H32N2O5S
Molecular Weight484.62 g/mol
Exact Mass484.20
IUPAC Name(2S)-2-(benzenesulfonamido)-N-[(1S)-1-hydroxy-3-methyl-1-(3-oxo-2-phenylcyclopropen-1-yl)butan-2-yl]-4-methylpentanamide
SMILESCC(C)C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC(C(C)C)C(O)c1c(-c2ccccc2)c1=O
InChIInChI=1S/C26H32N2O5S/c1-16(2)15-20(28-34(32,33)19-13-9-6-10-14-19)26(31)27-23(17(3)4)25(30)22-21(24(22)29)18-11-7-5-8-12-18/h5-14,16-17,20,23,25,28,30H,15H2,1-4H3,(H,27,31)/t20-,23?,25?/m0/s1
InChIKeyAHGUSCIGPLCZRU-UPDUBSDMSA-N
XLogP3.16
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.62
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

(2S)-2-acetamido-N-[(1S,2S)-1-hydroxy-3-methyl-1-(3-oxo-2-phenylcyclopropen-1-yl)butan-2-yl]-4-methylpentanamide
CID 54370782
cyclohexylmethyl N-[(2S)-1-[[(2S)-1-[[(1R,2S)-1-hydroxy-3-methyl-1-(3-oxo-2-phenylcyclopropen-1-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 54362588
(2S)-2-[[(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]-3-phenylpropanoic acid
CID 67632611
2-(benzenesulfonamido)-4-methyl-N-(2-oxooxolan-3-yl)pentanamide
CID 22444783
(2R)-N-benzyl-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 9336999
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylpropyl)pentanamide
CID 43010794
(2S)-N-[(1R)-1-(2-fluorophenyl)ethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 51857607
2-[[2-[(1-carboxy-3-methylbutyl)sulfamoyl]phenyl]sulfonylamino]-4-methylpentanoic acid
CID 24761708
(2S)-2-(benzenesulfonamido)-N-[(3S)-2-hydroxyoxan-3-yl]-4-methylpentanamide
CID 139726517
(2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 28828970
(2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 7061989
(2S)-4-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]pentanoic acid
CID 61155878

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzenesulfonamido)-N-[(1S)-1-hydroxy-3-methyl-1-(3-oxo-2-phenylcyclopropen-1-yl)butan-2-yl]-4-methylpentanamide?
The IUPAC name of (2S)-2-(benzenesulfonamido)-N-[(1S)-1-hydroxy-3-methyl-1-(3-oxo-2-phenylcyclopropen-1-yl)butan-2-yl]-4-methylpentanamide (CID 71655972) is (2S)-2-(benzenesulfonamido)-N-[(1S)-1-hydroxy-3-methyl-1-(3-oxo-2-phenylcyclopropen-1-yl)butan-2-yl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-(benzenesulfonamido)-N-[(1S)-1-hydroxy-3-methyl-1-(3-oxo-2-phenylcyclopropen-1-yl)butan-2-yl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-(benzenesulfonamido)-N-[(1S)-1-hydroxy-3-methyl-1-(3-oxo-2-phenylcyclopropen-1-yl)butan-2-yl]-4-methylpentanamide is CC(C)C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC(C(C)C)C(O)c1c(-c2ccccc2)c1=O.
What is the InChIKey of (2S)-2-(benzenesulfonamido)-N-[(1S)-1-hydroxy-3-methyl-1-(3-oxo-2-phenylcyclopropen-1-yl)butan-2-yl]-4-methylpentanamide?
The InChIKey is AHGUSCIGPLCZRU-UPDUBSDMSA-N. The full InChI is InChI=1S/C26H32N2O5S/c1-16(2)15-20(28-34(32,33)19-13-9-6-10-14-19)26(31)27-23(17(3)4)25(30)22-21(24(22)29)18-11-7-5-8-12-18/h5-14,16-17,20,23,25,28,30H,15H2,1-4H3,(H,27,31)/t20-,23?,25?/m0/s1.
What are the key properties of (2S)-2-(benzenesulfonamido)-N-[(1S)-1-hydroxy-3-methyl-1-(3-oxo-2-phenylcyclopropen-1-yl)butan-2-yl]-4-methylpentanamide?
(2S)-2-(benzenesulfonamido)-N-[(1S)-1-hydroxy-3-methyl-1-(3-oxo-2-phenylcyclopropen-1-yl)butan-2-yl]-4-methylpentanamide has a molecular weight of 484.62 g/mol, XLogP of 3.16, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzenesulfonamido)-N-[(1S)-1-hydroxy-3-methyl-1-(3-oxo-2-phenylcyclopropen-1-yl)butan-2-yl]-4-methylpentanamide is sourced from PubChem (CID 71655972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).