N-cyclopentyl-2-[(R)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfinyl]acetamide

C18H22N2O3S2 — CID 95571824

IUPACN-cyclopentyl-2-[(R)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfinyl]acetamide
SMILESCOc1ccc(-c2nc(C[S@@](=O)CC(=O)NC3CCCC3)cs2)cc1
InChIInChI=1S/C18H22N2O3S2/c1-23-16-8-6-13(7-9-16)18-20-15(10-24-18)11-25(22)12-17(21)19-14-4-2-3-5-14/h6-10,14H,2-5,11-12H2,1H3,(H,19,21)/t25-/m1/s1
InChIKeyRWHJYQCLUOVPLA-RUZDIDTESA-N
MW378.52 g/mol
LogP3.13
Rot. Bonds7

About N-cyclopentyl-2-[(R)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfinyl]acetamide

N-cyclopentyl-2-[(R)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfinyl]acetamide (PubChem CID 95571824) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-cyclopentyl-2-[(R)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfinyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(R)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfinyl]acetamide
PubChem CID95571824
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC NameN-cyclopentyl-2-[(R)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfinyl]acetamide
SMILESCOc1ccc(-c2nc(C[S@@](=O)CC(=O)NC3CCCC3)cs2)cc1
InChIInChI=1S/C18H22N2O3S2/c1-23-16-8-6-13(7-9-16)18-20-15(10-24-18)11-25(22)12-17(21)19-14-4-2-3-5-14/h6-10,14H,2-5,11-12H2,1H3,(H,19,21)/t25-/m1/s1
InChIKeyRWHJYQCLUOVPLA-RUZDIDTESA-N
XLogP3.13
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]acetamide
CID 8909955
N-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 4823194
N-cyclohexyl-2-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 135734499
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-cyclooctylacetamide
CID 39084543
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9135419
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 17398411
N-cyclohexyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 31700368
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-hydroxycyclohexyl)acetamide
CID 78767639
N-cyclopentyl-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide
CID 5307640
N-cyclohexyl-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 17414302
1-(3-ethylsulfinylcyclohexyl)-3-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-methylguanidine
CID 109437513
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 8815631

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(R)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfinyl]acetamide?
The IUPAC name of N-cyclopentyl-2-[(R)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfinyl]acetamide (CID 95571824) is N-cyclopentyl-2-[(R)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfinyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[(R)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfinyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[(R)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfinyl]acetamide is COc1ccc(-c2nc(C[S@@](=O)CC(=O)NC3CCCC3)cs2)cc1.
What is the InChIKey of N-cyclopentyl-2-[(R)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfinyl]acetamide?
The InChIKey is RWHJYQCLUOVPLA-RUZDIDTESA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-23-16-8-6-13(7-9-16)18-20-15(10-24-18)11-25(22)12-17(21)19-14-4-2-3-5-14/h6-10,14H,2-5,11-12H2,1H3,(H,19,21)/t25-/m1/s1.
What are the key properties of N-cyclopentyl-2-[(R)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfinyl]acetamide?
N-cyclopentyl-2-[(R)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfinyl]acetamide has a molecular weight of 378.52 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(R)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfinyl]acetamide is sourced from PubChem (CID 95571824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).