N-[3-[2-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethoxy]phenyl]propanamide

C18H23N3O3S — CID 50951360

IUPACN-[3-[2-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethoxy]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(OCC(=O)NCc2sc(C)nc2CC)c1
InChIInChI=1S/C18H23N3O3S/c1-4-15-16(25-12(3)20-15)10-19-18(23)11-24-14-8-6-7-13(9-14)21-17(22)5-2/h6-9H,4-5,10-11H2,1-3H3,(H,19,23)(H,21,22)
InChIKeyRLYLNIXKPYJWNC-UHFFFAOYSA-N
MW361.47 g/mol
LogP3.06
Rot. Bonds8

About N-[3-[2-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethoxy]phenyl]propanamide

N-[3-[2-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethoxy]phenyl]propanamide (PubChem CID 50951360) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-[3-[2-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethoxy]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[2-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethoxy]phenyl]propanamide
PubChem CID50951360
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-[3-[2-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethoxy]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(OCC(=O)NCc2sc(C)nc2CC)c1
InChIInChI=1S/C18H23N3O3S/c1-4-15-16(25-12(3)20-15)10-19-18(23)11-24-14-8-6-7-13(9-14)21-17(22)5-2/h6-9H,4-5,10-11H2,1-3H3,(H,19,23)(H,21,22)
InChIKeyRLYLNIXKPYJWNC-UHFFFAOYSA-N
XLogP3.06
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[3-[2-[[(2R)-2-methoxybutyl]amino]-2-oxoethoxy]phenyl]propanamide
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N-[3-[2-(1-hydroxybutan-2-ylamino)-2-oxoethoxy]phenyl]propanamide
CID 50967022
N-[3-[2-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]-2-oxoethoxy]phenyl]propanamide
CID 50958554
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-(4-propanoylphenoxy)acetamide
CID 34875030
N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl]propanamide
CID 17188267
N-[3-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]propanamide
CID 807123
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(3-fluorophenoxy)acetamide
CID 110718363
(3,5-dimethylphenyl) 2-[3-(propanoylamino)phenoxy]acetate
CID 18870324
2-(3-chlorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 9473411
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(4-phenylphenoxy)acetamide
CID 121122800

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethoxy]phenyl]propanamide?
The IUPAC name of N-[3-[2-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethoxy]phenyl]propanamide (CID 50951360) is N-[3-[2-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethoxy]phenyl]propanamide.
What is the SMILES notation for N-[3-[2-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethoxy]phenyl]propanamide?
The canonical SMILES for N-[3-[2-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethoxy]phenyl]propanamide is CCC(=O)Nc1cccc(OCC(=O)NCc2sc(C)nc2CC)c1.
What is the InChIKey of N-[3-[2-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethoxy]phenyl]propanamide?
The InChIKey is RLYLNIXKPYJWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-4-15-16(25-12(3)20-15)10-19-18(23)11-24-14-8-6-7-13(9-14)21-17(22)5-2/h6-9H,4-5,10-11H2,1-3H3,(H,19,23)(H,21,22).
What are the key properties of N-[3-[2-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethoxy]phenyl]propanamide?
N-[3-[2-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethoxy]phenyl]propanamide has a molecular weight of 361.47 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethoxy]phenyl]propanamide is sourced from PubChem (CID 50951360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).