N-(2,3-dimethylphenyl)-N-[4-[(2-oxo-4-propylchromen-7-yl)oxymethyl]-1,3-thiazol-2-yl]acetamide

C26H26N2O4S — CID 38916891

IUPACN-(2,3-dimethylphenyl)-N-[4-[(2-oxo-4-propylchromen-7-yl)oxymethyl]-1,3-thiazol-2-yl]acetamide
SMILESCCCc1cc(=O)oc2cc(OCc3csc(N(C(C)=O)c4cccc(C)c4C)n3)ccc12
InChIInChI=1S/C26H26N2O4S/c1-5-7-19-12-25(30)32-24-13-21(10-11-22(19)24)31-14-20-15-33-26(27-20)28(18(4)29)23-9-6-8-16(2)17(23)3/h6,8-13,15H,5,7,14H2,1-4H3
InChIKeyJQYXNBIQDNQETG-UHFFFAOYSA-N
MW462.57 g/mol
LogP6.08
Rot. Bonds7

About N-(2,3-dimethylphenyl)-N-[4-[(2-oxo-4-propylchromen-7-yl)oxymethyl]-1,3-thiazol-2-yl]acetamide

N-(2,3-dimethylphenyl)-N-[4-[(2-oxo-4-propylchromen-7-yl)oxymethyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 38916891) has the molecular formula C26H26N2O4S and a molecular weight of 462.57 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-N-[4-[(2-oxo-4-propylchromen-7-yl)oxymethyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-N-[4-[(2-oxo-4-propylchromen-7-yl)oxymethyl]-1,3-thiazol-2-yl]acetamide
PubChem CID38916891
Molecular FormulaC26H26N2O4S
Molecular Weight462.57 g/mol
Exact Mass462.16
IUPAC NameN-(2,3-dimethylphenyl)-N-[4-[(2-oxo-4-propylchromen-7-yl)oxymethyl]-1,3-thiazol-2-yl]acetamide
SMILESCCCc1cc(=O)oc2cc(OCc3csc(N(C(C)=O)c4cccc(C)c4C)n3)ccc12
InChIInChI=1S/C26H26N2O4S/c1-5-7-19-12-25(30)32-24-13-21(10-11-22(19)24)31-14-20-15-33-26(27-20)28(18(4)29)23-9-6-8-16(2)17(23)3/h6,8-13,15H,5,7,14H2,1-4H3
InChIKeyJQYXNBIQDNQETG-UHFFFAOYSA-N
XLogP6.08
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.57
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(3-cyanophenoxy)methyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide
CID 55579138
N-[4-[(2,6-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide
CID 24684744
7-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-4-propylchromen-2-one
CID 46583293
N-(2,3-dimethylphenyl)-N-[4-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]acetamide
CID 38928978
[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-(4-ethylphenoxy)acetate
CID 55316654
6-methyl-2-[(2-oxo-4-propylchromen-7-yl)oxymethyl]pyrido[1,2-a]pyrimidin-4-one
CID 51293952
7-(naphthalen-1-ylmethoxy)-4-propylchromen-2-one
CID 7917681
[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-amino-3-methylbenzoate
CID 55562461
[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl 5-bromo-2-chlorobenzoate
CID 55315093
[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl (Z)-2-methylpent-2-enoate
CID 56511208
N-(2,6-dimethylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 2196142
7-[(2-methylnaphthalen-1-yl)methoxy]-4-propylchromen-2-one
CID 23763929

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-N-[4-[(2-oxo-4-propylchromen-7-yl)oxymethyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-N-[4-[(2-oxo-4-propylchromen-7-yl)oxymethyl]-1,3-thiazol-2-yl]acetamide (CID 38916891) is N-(2,3-dimethylphenyl)-N-[4-[(2-oxo-4-propylchromen-7-yl)oxymethyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-N-[4-[(2-oxo-4-propylchromen-7-yl)oxymethyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-N-[4-[(2-oxo-4-propylchromen-7-yl)oxymethyl]-1,3-thiazol-2-yl]acetamide is CCCc1cc(=O)oc2cc(OCc3csc(N(C(C)=O)c4cccc(C)c4C)n3)ccc12.
What is the InChIKey of N-(2,3-dimethylphenyl)-N-[4-[(2-oxo-4-propylchromen-7-yl)oxymethyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is JQYXNBIQDNQETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4S/c1-5-7-19-12-25(30)32-24-13-21(10-11-22(19)24)31-14-20-15-33-26(27-20)28(18(4)29)23-9-6-8-16(2)17(23)3/h6,8-13,15H,5,7,14H2,1-4H3.
What are the key properties of N-(2,3-dimethylphenyl)-N-[4-[(2-oxo-4-propylchromen-7-yl)oxymethyl]-1,3-thiazol-2-yl]acetamide?
N-(2,3-dimethylphenyl)-N-[4-[(2-oxo-4-propylchromen-7-yl)oxymethyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 462.57 g/mol, XLogP of 6.08, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-N-[4-[(2-oxo-4-propylchromen-7-yl)oxymethyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 38916891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).