N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-3-(2-chlorophenoxy)propanamide

C23H22ClN3O4S — CID 108811014

IUPACN-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-3-(2-chlorophenoxy)propanamide
SMILESCC(=O)NC1CCOc2ccc(-c3csc(NC(=O)CCOc4ccccc4Cl)n3)cc21
InChIInChI=1S/C23H22ClN3O4S/c1-14(28)25-18-8-10-30-20-7-6-15(12-16(18)20)19-13-32-23(26-19)27-22(29)9-11-31-21-5-3-2-4-17(21)24/h2-7,12-13,18H,8-11H2,1H3,(H,25,28)(H,26,27,29)
InChIKeyMDYOWTDIYWSVDK-UHFFFAOYSA-N
MW471.97 g/mol
LogP4.83
Rot. Bonds7

About N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-3-(2-chlorophenoxy)propanamide

N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-3-(2-chlorophenoxy)propanamide (PubChem CID 108811014) has the molecular formula C23H22ClN3O4S and a molecular weight of 471.97 g/mol. Its IUPAC name is N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-3-(2-chlorophenoxy)propanamide.

Molecular Properties

Compound NameN-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-3-(2-chlorophenoxy)propanamide
PubChem CID108811014
Molecular FormulaC23H22ClN3O4S
Molecular Weight471.97 g/mol
Exact Mass471.10
IUPAC NameN-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-3-(2-chlorophenoxy)propanamide
SMILESCC(=O)NC1CCOc2ccc(-c3csc(NC(=O)CCOc4ccccc4Cl)n3)cc21
InChIInChI=1S/C23H22ClN3O4S/c1-14(28)25-18-8-10-30-20-7-6-15(12-16(18)20)19-13-32-23(26-19)27-22(29)9-11-31-21-5-3-2-4-17(21)24/h2-7,12-13,18H,8-11H2,1H3,(H,25,28)(H,26,27,29)
InChIKeyMDYOWTDIYWSVDK-UHFFFAOYSA-N
XLogP4.83
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.97
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]butanamide
CID 108730853
N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-2-chloroacetamide
CID 108730842
N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-2-methoxyacetamide
CID 108730892
N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 108730881
N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-2-chloropropanamide
CID 108730854
N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-2-(1-adamantyl)acetamide
CID 108754425
N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 108730865
3-(2-chlorophenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propanamide
CID 108811035
N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-7-chloro-1H-indole-2-carboxamide
CID 108730900
N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-2-(4-nitrophenoxy)acetamide
CID 108730891
N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 108754399
(E)-N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]but-2-enamide
CID 108754392

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-3-(2-chlorophenoxy)propanamide?
The IUPAC name of N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-3-(2-chlorophenoxy)propanamide (CID 108811014) is N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-3-(2-chlorophenoxy)propanamide.
What is the SMILES notation for N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-3-(2-chlorophenoxy)propanamide?
The canonical SMILES for N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-3-(2-chlorophenoxy)propanamide is CC(=O)NC1CCOc2ccc(-c3csc(NC(=O)CCOc4ccccc4Cl)n3)cc21.
What is the InChIKey of N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-3-(2-chlorophenoxy)propanamide?
The InChIKey is MDYOWTDIYWSVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O4S/c1-14(28)25-18-8-10-30-20-7-6-15(12-16(18)20)19-13-32-23(26-19)27-22(29)9-11-31-21-5-3-2-4-17(21)24/h2-7,12-13,18H,8-11H2,1H3,(H,25,28)(H,26,27,29).
What are the key properties of N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-3-(2-chlorophenoxy)propanamide?
N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-3-(2-chlorophenoxy)propanamide has a molecular weight of 471.97 g/mol, XLogP of 4.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-3-(2-chlorophenoxy)propanamide is sourced from PubChem (CID 108811014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).