(4R)-N-[(3-methoxyphenyl)methyl]-3-pentanoyl-1,3-thiazolidine-4-carboxamide

C17H24N2O3S — CID 95737503

IUPAC(4R)-N-[(3-methoxyphenyl)methyl]-3-pentanoyl-1,3-thiazolidine-4-carboxamide
SMILESCCCCC(=O)N1CSC[C@H]1C(=O)NCc1cccc(OC)c1
InChIInChI=1S/C17H24N2O3S/c1-3-4-8-16(20)19-12-23-11-15(19)17(21)18-10-13-6-5-7-14(9-13)22-2/h5-7,9,15H,3-4,8,10-12H2,1-2H3,(H,18,21)/t15-/m0/s1
InChIKeyHVCAVTFKYSPGOX-HNNXBMFYSA-N
MW336.46 g/mol
LogP2.40
Rot. Bonds7

About (4R)-N-[(3-methoxyphenyl)methyl]-3-pentanoyl-1,3-thiazolidine-4-carboxamide

(4R)-N-[(3-methoxyphenyl)methyl]-3-pentanoyl-1,3-thiazolidine-4-carboxamide (PubChem CID 95737503) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is (4R)-N-[(3-methoxyphenyl)methyl]-3-pentanoyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-[(3-methoxyphenyl)methyl]-3-pentanoyl-1,3-thiazolidine-4-carboxamide
PubChem CID95737503
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name(4R)-N-[(3-methoxyphenyl)methyl]-3-pentanoyl-1,3-thiazolidine-4-carboxamide
SMILESCCCCC(=O)N1CSC[C@H]1C(=O)NCc1cccc(OC)c1
InChIInChI=1S/C17H24N2O3S/c1-3-4-8-16(20)19-12-23-11-15(19)17(21)18-10-13-6-5-7-14(9-13)22-2/h5-7,9,15H,3-4,8,10-12H2,1-2H3,(H,18,21)/t15-/m0/s1
InChIKeyHVCAVTFKYSPGOX-HNNXBMFYSA-N
XLogP2.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-N-[(3-cyanophenyl)methyl]-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide
CID 95292753
N-[(3-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119265285
N-[(3-methoxyphenyl)methyl]octadec-9-enamide
CID 86237122
(2S,4R)-1-(1-butanoylpiperidin-4-yl)-4-hydroxy-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 110197258
N-[(3-methoxyphenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985796
1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]pentan-1-one
CID 110412296
(4S)-N-benzyl-3-(2-pyridin-3-ylacetyl)-1,3-thiazolidine-4-carboxamide
CID 97212140
N-[[3-(difluoromethoxy)phenyl]methyl]pentanamide
CID 49337433
3-acetyl-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 51093664
N-[(3-methoxyphenyl)methyl]-2-methylhexanamide
CID 163830422
(4S)-3-(3-methoxybenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 20973622
2-N-butyl-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109131252

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(3-methoxyphenyl)methyl]-3-pentanoyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-N-[(3-methoxyphenyl)methyl]-3-pentanoyl-1,3-thiazolidine-4-carboxamide (CID 95737503) is (4R)-N-[(3-methoxyphenyl)methyl]-3-pentanoyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-[(3-methoxyphenyl)methyl]-3-pentanoyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-[(3-methoxyphenyl)methyl]-3-pentanoyl-1,3-thiazolidine-4-carboxamide is CCCCC(=O)N1CSC[C@H]1C(=O)NCc1cccc(OC)c1.
What is the InChIKey of (4R)-N-[(3-methoxyphenyl)methyl]-3-pentanoyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is HVCAVTFKYSPGOX-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-3-4-8-16(20)19-12-23-11-15(19)17(21)18-10-13-6-5-7-14(9-13)22-2/h5-7,9,15H,3-4,8,10-12H2,1-2H3,(H,18,21)/t15-/m0/s1.
What are the key properties of (4R)-N-[(3-methoxyphenyl)methyl]-3-pentanoyl-1,3-thiazolidine-4-carboxamide?
(4R)-N-[(3-methoxyphenyl)methyl]-3-pentanoyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 336.46 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(3-methoxyphenyl)methyl]-3-pentanoyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95737503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).