(4R)-3-[2-(4-methoxyphenyl)acetyl]-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide

C17H24N2O3S — CID 95302302

IUPAC(4R)-3-[2-(4-methoxyphenyl)acetyl]-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc(CC(=O)N2CSC[C@H]2C(=O)N(C)C(C)C)cc1
InChIInChI=1S/C17H24N2O3S/c1-12(2)18(3)17(21)15-10-23-11-19(15)16(20)9-13-5-7-14(22-4)8-6-13/h5-8,12,15H,9-11H2,1-4H3/t15-/m0/s1
InChIKeyPVEVNIWWQMARSP-HNNXBMFYSA-N
MW336.46 g/mol
LogP2.01
Rot. Bonds5

About (4R)-3-[2-(4-methoxyphenyl)acetyl]-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide

(4R)-3-[2-(4-methoxyphenyl)acetyl]-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide (PubChem CID 95302302) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is (4R)-3-[2-(4-methoxyphenyl)acetyl]-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-3-[2-(4-methoxyphenyl)acetyl]-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide
PubChem CID95302302
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name(4R)-3-[2-(4-methoxyphenyl)acetyl]-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc(CC(=O)N2CSC[C@H]2C(=O)N(C)C(C)C)cc1
InChIInChI=1S/C17H24N2O3S/c1-12(2)18(3)17(21)15-10-23-11-19(15)16(20)9-13-5-7-14(22-4)8-6-13/h5-8,12,15H,9-11H2,1-4H3/t15-/m0/s1
InChIKeyPVEVNIWWQMARSP-HNNXBMFYSA-N
XLogP2.01
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-3-[2-(4-methoxyphenyl)acetyl]-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide with MolForge

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Related Compounds

4-[2-(4-methoxyphenyl)acetyl]thiomorpholine-3-carboxylic acid
CID 78979641
(4S)-3-(isoquinoline-1-carbonyl)-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide
CID 95282188
1-[3-[(dimethylamino)methyl]-1,4-thiazepan-4-yl]-2-(4-methoxyphenyl)ethanone
CID 90568151
1-[4-(dimethylamino)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110866811
3-(2-chloro-2-fluoroacetyl)-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide
CID 166427848
(4R)-N-methyl-N-propan-2-yl-3-[4-(trifluoromethylsulfonyl)benzoyl]-1,3-thiazolidine-4-carboxamide
CID 95271784
(4R)-3-[3-(1H-indol-5-yl)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide
CID 97335240
2-(4-methoxyphenyl)-1-thiomorpholin-4-ylethanone
CID 78793597
1-[2-(bromomethyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 74554965
(4R)-N-cyclopropyl-N-methyl-3-[2-(3-nitrophenyl)acetyl]-1,3-thiazolidine-4-carboxamide
CID 124607381
N-(2-methylpropyl)-3-[2-(4-nitrophenyl)acetyl]-1,3-thiazolidine-4-carboxamide
CID 60609238
2-(4-methoxyphenyl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 176781017

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[2-(4-methoxyphenyl)acetyl]-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-3-[2-(4-methoxyphenyl)acetyl]-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide (CID 95302302) is (4R)-3-[2-(4-methoxyphenyl)acetyl]-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-3-[2-(4-methoxyphenyl)acetyl]-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-3-[2-(4-methoxyphenyl)acetyl]-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide is COc1ccc(CC(=O)N2CSC[C@H]2C(=O)N(C)C(C)C)cc1.
What is the InChIKey of (4R)-3-[2-(4-methoxyphenyl)acetyl]-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide?
The InChIKey is PVEVNIWWQMARSP-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-12(2)18(3)17(21)15-10-23-11-19(15)16(20)9-13-5-7-14(22-4)8-6-13/h5-8,12,15H,9-11H2,1-4H3/t15-/m0/s1.
What are the key properties of (4R)-3-[2-(4-methoxyphenyl)acetyl]-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide?
(4R)-3-[2-(4-methoxyphenyl)acetyl]-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide has a molecular weight of 336.46 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[2-(4-methoxyphenyl)acetyl]-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95302302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).