(2R)-N-[2-(4-methoxyphenyl)ethyl]-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanamide

C21H24N2O3S2 — CID 97002491

IUPAC(2R)-N-[2-(4-methoxyphenyl)ethyl]-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanamide
SMILESCOc1ccc(CCNC(=O)[C@@H](C)SCc2nc(-c3cccs3)oc2C)cc1
InChIInChI=1S/C21H24N2O3S2/c1-14-18(23-21(26-14)19-5-4-12-27-19)13-28-15(2)20(24)22-11-10-16-6-8-17(25-3)9-7-16/h4-9,12,15H,10-11,13H2,1-3H3,(H,22,24)/t15-/m1/s1
InChIKeySLFQMTJNNQWHCW-OAHLLOKOSA-N
MW416.57 g/mol
LogP4.70
Rot. Bonds9

About (2R)-N-[2-(4-methoxyphenyl)ethyl]-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanamide

(2R)-N-[2-(4-methoxyphenyl)ethyl]-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanamide (PubChem CID 97002491) has the molecular formula C21H24N2O3S2 and a molecular weight of 416.57 g/mol. Its IUPAC name is (2R)-N-[2-(4-methoxyphenyl)ethyl]-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-[2-(4-methoxyphenyl)ethyl]-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanamide
PubChem CID97002491
Molecular FormulaC21H24N2O3S2
Molecular Weight416.57 g/mol
Exact Mass416.12
IUPAC Name(2R)-N-[2-(4-methoxyphenyl)ethyl]-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanamide
SMILESCOc1ccc(CCNC(=O)[C@@H](C)SCc2nc(-c3cccs3)oc2C)cc1
InChIInChI=1S/C21H24N2O3S2/c1-14-18(23-21(26-14)19-5-4-12-27-19)13-28-15(2)20(24)22-11-10-16-6-8-17(25-3)9-7-16/h4-9,12,15H,10-11,13H2,1-3H3,(H,22,24)/t15-/m1/s1
InChIKeySLFQMTJNNQWHCW-OAHLLOKOSA-N
XLogP4.70
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 25475926
N-(2,5-dimethoxyphenyl)-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanamide
CID 78860894
(2R)-N-[(2-chlorophenyl)methyl]-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanamide
CID 31407456
2-ethyl-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]butanamide
CID 110415415
2-(4-ethoxyphenyl)-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]acetamide
CID 110641317
(2S,3S)-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-ol
CID 96535838
N-[(3,5-dimethoxyphenyl)methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 46590390
N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]thiophene-2-carboxamide
CID 110415417
2-methyl-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanoic acid
CID 64916269
N-(2-aminoethyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 119384938
N-[2-(4-methoxyphenyl)ethyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
CID 46093965
N-[2-(3-fluorophenyl)ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31844590

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(4-methoxyphenyl)ethyl]-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanamide?
The IUPAC name of (2R)-N-[2-(4-methoxyphenyl)ethyl]-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanamide (CID 97002491) is (2R)-N-[2-(4-methoxyphenyl)ethyl]-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanamide.
What is the SMILES notation for (2R)-N-[2-(4-methoxyphenyl)ethyl]-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanamide?
The canonical SMILES for (2R)-N-[2-(4-methoxyphenyl)ethyl]-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanamide is COc1ccc(CCNC(=O)[C@@H](C)SCc2nc(-c3cccs3)oc2C)cc1.
What is the InChIKey of (2R)-N-[2-(4-methoxyphenyl)ethyl]-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanamide?
The InChIKey is SLFQMTJNNQWHCW-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H24N2O3S2/c1-14-18(23-21(26-14)19-5-4-12-27-19)13-28-15(2)20(24)22-11-10-16-6-8-17(25-3)9-7-16/h4-9,12,15H,10-11,13H2,1-3H3,(H,22,24)/t15-/m1/s1.
What are the key properties of (2R)-N-[2-(4-methoxyphenyl)ethyl]-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanamide?
(2R)-N-[2-(4-methoxyphenyl)ethyl]-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanamide has a molecular weight of 416.57 g/mol, XLogP of 4.70, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(4-methoxyphenyl)ethyl]-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanamide is sourced from PubChem (CID 97002491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).