N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(4-methylphenoxy)propanamide

C22H23N3O3S — CID 31893475

IUPACN-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(4-methylphenoxy)propanamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)CCOc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C22H23N3O3S/c1-15-3-9-19(10-4-15)28-12-11-21(27)25-22-24-20(14-29-22)18-7-5-17(6-8-18)13-23-16(2)26/h3-10,14H,11-13H2,1-2H3,(H,23,26)(H,24,25,27)
InChIKeyAWSHMBSHQRUVLK-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.16
Rot. Bonds8

About N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(4-methylphenoxy)propanamide

N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(4-methylphenoxy)propanamide (PubChem CID 31893475) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(4-methylphenoxy)propanamide
PubChem CID31893475
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC NameN-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(4-methylphenoxy)propanamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)CCOc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C22H23N3O3S/c1-15-3-9-19(10-4-15)28-12-11-21(27)25-22-24-20(14-29-22)18-7-5-17(6-8-18)13-23-16(2)26/h3-10,14H,11-13H2,1-2H3,(H,23,26)(H,24,25,27)
InChIKeyAWSHMBSHQRUVLK-UHFFFAOYSA-N
XLogP4.16
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-4-(4-chlorophenoxy)butanamide
CID 108762469
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(3,5-dimethylphenoxy)propanamide
CID 35505939
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-phenylacetamide
CID 108762419
ethyl N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]carbamate
CID 108739772
3-acetamido-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 2090742
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenoxy)butanamide
CID 7915421
N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-4-(4-propylphenoxy)butanamide
CID 19191455
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(4-acetyl-5-methylfuran-2-yl)propanamide
CID 24506095
[4-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate
CID 108739741
N-[2-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-chlorobenzamide
CID 108762417
N-[[4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 9343440
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 31347334

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(4-methylphenoxy)propanamide?
The IUPAC name of N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(4-methylphenoxy)propanamide (CID 31893475) is N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(4-methylphenoxy)propanamide.
What is the SMILES notation for N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(4-methylphenoxy)propanamide?
The canonical SMILES for N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(4-methylphenoxy)propanamide is CC(=O)NCc1ccc(-c2csc(NC(=O)CCOc3ccc(C)cc3)n2)cc1.
What is the InChIKey of N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(4-methylphenoxy)propanamide?
The InChIKey is AWSHMBSHQRUVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-15-3-9-19(10-4-15)28-12-11-21(27)25-22-24-20(14-29-22)18-7-5-17(6-8-18)13-23-16(2)26/h3-10,14H,11-13H2,1-2H3,(H,23,26)(H,24,25,27).
What are the key properties of N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(4-methylphenoxy)propanamide?
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(4-methylphenoxy)propanamide has a molecular weight of 409.51 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(4-methylphenoxy)propanamide is sourced from PubChem (CID 31893475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).