N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide

C22H25N3O5S — CID 10765672

IUPACN-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide
SMILESCOc1ccc(C2SCC(=O)N2NC(=O)COc2cc(C)c(N=O)cc2C(C)C)cc1
InChIInChI=1S/C22H25N3O5S/c1-13(2)17-10-18(24-28)14(3)9-19(17)30-11-20(26)23-25-21(27)12-31-22(25)15-5-7-16(29-4)8-6-15/h5-10,13,22H,11-12H2,1-4H3,(H,23,26)
InChIKeyBMRZCQLICDEFCK-UHFFFAOYSA-N
MW443.53 g/mol
LogP4.21
Rot. Bonds8

About N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide

N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide (PubChem CID 10765672) has the molecular formula C22H25N3O5S and a molecular weight of 443.53 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide
PubChem CID10765672
Molecular FormulaC22H25N3O5S
Molecular Weight443.53 g/mol
Exact Mass443.15
IUPAC NameN-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide
SMILESCOc1ccc(C2SCC(=O)N2NC(=O)COc2cc(C)c(N=O)cc2C(C)C)cc1
InChIInChI=1S/C22H25N3O5S/c1-13(2)17-10-18(24-28)14(3)9-19(17)30-11-20(26)23-25-21(27)12-31-22(25)15-5-7-16(29-4)8-6-15/h5-10,13,22H,11-12H2,1-4H3,(H,23,26)
InChIKeyBMRZCQLICDEFCK-UHFFFAOYSA-N
XLogP4.21
TPSA97.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide
CID 10836337
2-[2-(3,4-dichlorophenyl)-3-[[2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetyl]amino]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 10578368
N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-[4-[2-[4-[2-[[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethoxy]phenyl]ethyl]phenoxy]acetamide
CID 11592987
2-[4-[2-[4-[2-oxo-2-[(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)amino]ethoxy]phenyl]ethyl]phenoxy]-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide
CID 11664742
N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-3,5-dinitrobenzamide
CID 15272755
methyl 3-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoate
CID 3402208
N-[(E)-(3-chlorophenyl)methylideneamino]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide
CID 10523412
N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide
CID 10692808
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 15946683
2-(4-chlorophenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 25023320
methyl 6-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]hexanoate
CID 3806298
3-tert-butyl-1-[2-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-methylurea
CID 42814570

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide (CID 10765672) is N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide is COc1ccc(C2SCC(=O)N2NC(=O)COc2cc(C)c(N=O)cc2C(C)C)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide?
The InChIKey is BMRZCQLICDEFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5S/c1-13(2)17-10-18(24-28)14(3)9-19(17)30-11-20(26)23-25-21(27)12-31-22(25)15-5-7-16(29-4)8-6-15/h5-10,13,22H,11-12H2,1-4H3,(H,23,26).
What are the key properties of N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide?
N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide has a molecular weight of 443.53 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 10765672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).