1-hydroxy-N-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-N-methylnaphthalene-2-carboxamide

C29H24N2O4S — CID 91611980

IUPAC1-hydroxy-N-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-N-methylnaphthalene-2-carboxamide
SMILESCN(Cc1cccc(-c2ccc(Cc3sc(=O)[nH]c3O)cc2)c1)C(=O)c1ccc2ccccc2c1O
InChIInChI=1S/C29H24N2O4S/c1-31(28(34)24-14-13-21-6-2-3-8-23(21)26(24)32)17-19-5-4-7-22(15-19)20-11-9-18(10-12-20)16-25-27(33)30-29(35)36-25/h2-15,32-33H,16-17H2,1H3,(H,30,35)
InChIKeyVQNVKRNAQSRUEE-UHFFFAOYSA-N
MW496.59 g/mol
LogP5.53
Rot. Bonds6

About 1-hydroxy-N-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-N-methylnaphthalene-2-carboxamide

1-hydroxy-N-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-N-methylnaphthalene-2-carboxamide (PubChem CID 91611980) has the molecular formula C29H24N2O4S and a molecular weight of 496.59 g/mol. Its IUPAC name is 1-hydroxy-N-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-N-methylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name1-hydroxy-N-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-N-methylnaphthalene-2-carboxamide
PubChem CID91611980
Molecular FormulaC29H24N2O4S
Molecular Weight496.59 g/mol
Exact Mass496.15
IUPAC Name1-hydroxy-N-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-N-methylnaphthalene-2-carboxamide
SMILESCN(Cc1cccc(-c2ccc(Cc3sc(=O)[nH]c3O)cc2)c1)C(=O)c1ccc2ccccc2c1O
InChIInChI=1S/C29H24N2O4S/c1-31(28(34)24-14-13-21-6-2-3-8-23(21)26(24)32)17-19-5-4-7-22(15-19)20-11-9-18(10-12-20)16-25-27(33)30-29(35)36-25/h2-15,32-33H,16-17H2,1H3,(H,30,35)
InChIKeyVQNVKRNAQSRUEE-UHFFFAOYSA-N
XLogP5.53
TPSA93.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.59
LogP ≤ 55.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-N-methyl-3-phenylpropanamide
CID 90843738
tert-butyl N-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-N-methylcarbamate
CID 91430904
10-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl-methylamino]-2-methyl-10-oxodecanoic acid
CID 91184546
1-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-3-phenylurea
CID 90693218
N-[[2-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]-5-phenylphenyl]methyl]-4-(4-hydroxyphenyl)-N-methylbenzamide
CID 91375360
N-[2-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]ethyl]-4-methylsulfanylbenzamide
CID 90848030
4-hydroxy-5-[(4-naphthalen-1-yloxyphenyl)methyl]-3H-1,3-thiazol-2-one
CID 91934024
4-hydroxy-5-[[4-(2-phenylethyl)phenyl]methyl]-3H-1,3-thiazol-2-one
CID 91934054
N-[[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]methyl]-3-hydroxy-N-methylnaphthalene-2-carboxamide
CID 10368570
4-hydroxy-5-[[4-[[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]methyl]phenyl]methyl]-3H-1,3-thiazol-2-one
CID 90913449
N-[(3-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide
CID 18113904
N-[[3-[4-[(4-hydroxy-2-oxo-1,3-thiazol-3-yl)methyl]phenyl]phenyl]methyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 91324283

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-N-methylnaphthalene-2-carboxamide?
The IUPAC name of 1-hydroxy-N-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-N-methylnaphthalene-2-carboxamide (CID 91611980) is 1-hydroxy-N-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-N-methylnaphthalene-2-carboxamide.
What is the SMILES notation for 1-hydroxy-N-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-N-methylnaphthalene-2-carboxamide?
The canonical SMILES for 1-hydroxy-N-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-N-methylnaphthalene-2-carboxamide is CN(Cc1cccc(-c2ccc(Cc3sc(=O)[nH]c3O)cc2)c1)C(=O)c1ccc2ccccc2c1O.
What is the InChIKey of 1-hydroxy-N-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-N-methylnaphthalene-2-carboxamide?
The InChIKey is VQNVKRNAQSRUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O4S/c1-31(28(34)24-14-13-21-6-2-3-8-23(21)26(24)32)17-19-5-4-7-22(15-19)20-11-9-18(10-12-20)16-25-27(33)30-29(35)36-25/h2-15,32-33H,16-17H2,1H3,(H,30,35).
What are the key properties of 1-hydroxy-N-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-N-methylnaphthalene-2-carboxamide?
1-hydroxy-N-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-N-methylnaphthalene-2-carboxamide has a molecular weight of 496.59 g/mol, XLogP of 5.53, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-N-methylnaphthalene-2-carboxamide is sourced from PubChem (CID 91611980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).