5-(tert-butylsulfonylamino)-N-(2-hydroxy-5-methyl-2H-chromen-6-yl)pentanamide

C19H28N2O5S — CID 20629546

IUPAC5-(tert-butylsulfonylamino)-N-(2-hydroxy-5-methyl-2H-chromen-6-yl)pentanamide
SMILESCc1c(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)ccc2c1C=CC(O)O2
InChIInChI=1S/C19H28N2O5S/c1-13-14-8-11-18(23)26-16(14)10-9-15(13)21-17(22)7-5-6-12-20-27(24,25)19(2,3)4/h8-11,18,20,23H,5-7,12H2,1-4H3,(H,21,22)
InChIKeySWVPGCZSLQNYHH-UHFFFAOYSA-N
MW396.51 g/mol
LogP2.55
Rot. Bonds7

About 5-(tert-butylsulfonylamino)-N-(2-hydroxy-5-methyl-2H-chromen-6-yl)pentanamide

5-(tert-butylsulfonylamino)-N-(2-hydroxy-5-methyl-2H-chromen-6-yl)pentanamide (PubChem CID 20629546) has the molecular formula C19H28N2O5S and a molecular weight of 396.51 g/mol. Its IUPAC name is 5-(tert-butylsulfonylamino)-N-(2-hydroxy-5-methyl-2H-chromen-6-yl)pentanamide.

Molecular Properties

Compound Name5-(tert-butylsulfonylamino)-N-(2-hydroxy-5-methyl-2H-chromen-6-yl)pentanamide
PubChem CID20629546
Molecular FormulaC19H28N2O5S
Molecular Weight396.51 g/mol
Exact Mass396.17
IUPAC Name5-(tert-butylsulfonylamino)-N-(2-hydroxy-5-methyl-2H-chromen-6-yl)pentanamide
SMILESCc1c(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)ccc2c1C=CC(O)O2
InChIInChI=1S/C19H28N2O5S/c1-13-14-8-11-18(23)26-16(14)10-9-15(13)21-17(22)7-5-6-12-20-27(24,25)19(2,3)4/h8-11,18,20,23H,5-7,12H2,1-4H3,(H,21,22)
InChIKeySWVPGCZSLQNYHH-UHFFFAOYSA-N
XLogP2.55
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfonylamino)-N-(2-hydroxy-5-methyl-2H-chromen-6-yl)pentanamide?
The IUPAC name of 5-(tert-butylsulfonylamino)-N-(2-hydroxy-5-methyl-2H-chromen-6-yl)pentanamide (CID 20629546) is 5-(tert-butylsulfonylamino)-N-(2-hydroxy-5-methyl-2H-chromen-6-yl)pentanamide.
What is the SMILES notation for 5-(tert-butylsulfonylamino)-N-(2-hydroxy-5-methyl-2H-chromen-6-yl)pentanamide?
The canonical SMILES for 5-(tert-butylsulfonylamino)-N-(2-hydroxy-5-methyl-2H-chromen-6-yl)pentanamide is Cc1c(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)ccc2c1C=CC(O)O2.
What is the InChIKey of 5-(tert-butylsulfonylamino)-N-(2-hydroxy-5-methyl-2H-chromen-6-yl)pentanamide?
The InChIKey is SWVPGCZSLQNYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5S/c1-13-14-8-11-18(23)26-16(14)10-9-15(13)21-17(22)7-5-6-12-20-27(24,25)19(2,3)4/h8-11,18,20,23H,5-7,12H2,1-4H3,(H,21,22).
What are the key properties of 5-(tert-butylsulfonylamino)-N-(2-hydroxy-5-methyl-2H-chromen-6-yl)pentanamide?
5-(tert-butylsulfonylamino)-N-(2-hydroxy-5-methyl-2H-chromen-6-yl)pentanamide has a molecular weight of 396.51 g/mol, XLogP of 2.55, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylsulfonylamino)-N-(2-hydroxy-5-methyl-2H-chromen-6-yl)pentanamide is sourced from PubChem (CID 20629546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).