N-benzyl-2-(4-chlorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

C24H19ClN2O2S — CID 3173505

IUPACN-benzyl-2-(4-chlorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESO=C(COc1ccc(Cl)cc1)N(Cc1ccccc1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C24H19ClN2O2S/c25-20-11-13-21(14-12-20)29-16-23(28)27(15-18-7-3-1-4-8-18)24-26-22(17-30-24)19-9-5-2-6-10-19/h1-14,17H,15-16H2
InChIKeyQDWOCDCTDZOXKM-UHFFFAOYSA-N
MW434.95 g/mol
LogP6.08
Rot. Bonds7

About N-benzyl-2-(4-chlorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

N-benzyl-2-(4-chlorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 3173505) has the molecular formula C24H19ClN2O2S and a molecular weight of 434.95 g/mol. Its IUPAC name is N-benzyl-2-(4-chlorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-chlorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID3173505
Molecular FormulaC24H19ClN2O2S
Molecular Weight434.95 g/mol
Exact Mass434.09
IUPAC NameN-benzyl-2-(4-chlorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESO=C(COc1ccc(Cl)cc1)N(Cc1ccccc1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C24H19ClN2O2S/c25-20-11-13-21(14-12-20)29-16-23(28)27(15-18-7-3-1-4-8-18)24-26-22(17-30-24)19-9-5-2-6-10-19/h1-14,17H,15-16H2
InChIKeyQDWOCDCTDZOXKM-UHFFFAOYSA-N
XLogP6.08
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.95
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-Benzyl-2-phenoxy-N-(4-phenyl-thiazol-2-yl)-acetamide
CID 1139390
N-[4-(4-Methoxy-phenyl)-thiazol-2-yl]-N-phenethyl-2-phenoxy-acetamide
CID 1172672
N-Benzyl-2-phenoxy-N-(4-p-tolyl-thiazol-2-yl)-acetamide
CID 1175894
N-Phenethyl-2-phenoxy-N-(4-p-tolyl-thiazol-2-yl)-acetamide
CID 1175901
N-[4-(4-Fluoro-phenyl)-thiazol-2-yl]-N-phenethyl-2-phenoxy-acetamide
CID 1176056
N-{2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl}-2-phenoxyacetamide
CID 7216557
2-(4-chlorophenoxy)-N-{2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl}acetamide
CID 7216597
2-(4-chlorophenoxy)-N-{2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl}acetamide
CID 7522124
2-(4-Chloro-phenoxy)-N-{4-[4-(morpholine-4-sulfonyl)-phenyl]-thiazol-2-yl}-acetamide
CID 980197
1-[(2R)-2-[4-(5-chloro-2-methoxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-phenoxyethanone
CID 25121626
1-[(2R)-2-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone
CID 25123087
N-(4-(4-Chlorophenyl)-1,3-thiazol-2-YL)-2-(2-methoxyphenoxy)acetamide
CID 1275131

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-chlorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-benzyl-2-(4-chlorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 3173505) is N-benzyl-2-(4-chlorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(4-chlorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-benzyl-2-(4-chlorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is O=C(COc1ccc(Cl)cc1)N(Cc1ccccc1)c1nc(-c2ccccc2)cs1.
What is the InChIKey of N-benzyl-2-(4-chlorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is QDWOCDCTDZOXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O2S/c25-20-11-13-21(14-12-20)29-16-23(28)27(15-18-7-3-1-4-8-18)24-26-22(17-30-24)19-9-5-2-6-10-19/h1-14,17H,15-16H2.
What are the key properties of N-benzyl-2-(4-chlorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
N-benzyl-2-(4-chlorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 434.95 g/mol, XLogP of 6.08, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-chlorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3173505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).