3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]propanamide

C26H26N2O5S — CID 47074555

IUPAC3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]propanamide
SMILESCOc1ccc(-c2csc(CCNC(=O)CCc3c(C)c4ccc(OC)cc4oc3=O)n2)cc1
InChIInChI=1S/C26H26N2O5S/c1-16-20-9-8-19(32-3)14-23(20)33-26(30)21(16)10-11-24(29)27-13-12-25-28-22(15-34-25)17-4-6-18(31-2)7-5-17/h4-9,14-15H,10-13H2,1-3H3,(H,27,29)
InChIKeyNRGOOUHRZAQOHN-UHFFFAOYSA-N
MW478.57 g/mol
LogP4.53
Rot. Bonds9

About 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]propanamide

3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]propanamide (PubChem CID 47074555) has the molecular formula C26H26N2O5S and a molecular weight of 478.57 g/mol. Its IUPAC name is 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]propanamide.

Molecular Properties

Compound Name3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]propanamide
PubChem CID47074555
Molecular FormulaC26H26N2O5S
Molecular Weight478.57 g/mol
Exact Mass478.16
IUPAC Name3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]propanamide
SMILESCOc1ccc(-c2csc(CCNC(=O)CCc3c(C)c4ccc(OC)cc4oc3=O)n2)cc1
InChIInChI=1S/C26H26N2O5S/c1-16-20-9-8-19(32-3)14-23(20)33-26(30)21(16)10-11-24(29)27-13-12-25-28-22(15-34-25)17-4-6-18(31-2)7-5-17/h4-9,14-15H,10-13H2,1-3H3,(H,27,29)
InChIKeyNRGOOUHRZAQOHN-UHFFFAOYSA-N
XLogP4.53
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 4965116
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(3-propan-2-yloxypropyl)propanamide
CID 51280681
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 16604979
N-[2-(3-bromo-4-fluorophenyl)ethyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 55898150
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 4914211
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(2-piperazin-1-ylethyl)propanamide
CID 119445603
methyl 4-[[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]methyl]benzoate
CID 18131820
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-pyridin-4-ylpropanamide
CID 51297554
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[[2-(methoxymethyl)phenyl]methyl]propanamide
CID 32605712
N-[(2R)-2-hydroxy-2,3-dimethylbutyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 95783109
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(1-pyridin-4-ylethyl)propanamide
CID 51272048
N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2,5-dimethylfuran-3-carboxamide
CID 75537694

Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]propanamide?
The IUPAC name of 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]propanamide (CID 47074555) is 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]propanamide.
What is the SMILES notation for 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]propanamide?
The canonical SMILES for 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]propanamide is COc1ccc(-c2csc(CCNC(=O)CCc3c(C)c4ccc(OC)cc4oc3=O)n2)cc1.
What is the InChIKey of 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]propanamide?
The InChIKey is NRGOOUHRZAQOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O5S/c1-16-20-9-8-19(32-3)14-23(20)33-26(30)21(16)10-11-24(29)27-13-12-25-28-22(15-34-25)17-4-6-18(31-2)7-5-17/h4-9,14-15H,10-13H2,1-3H3,(H,27,29).
What are the key properties of 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]propanamide?
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]propanamide has a molecular weight of 478.57 g/mol, XLogP of 4.53, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]propanamide is sourced from PubChem (CID 47074555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).