(4R)-N-(2-methylpropyl)-3-[4-[(S)-methylsulfinyl]benzoyl]-1,3-thiazolidine-4-carboxamide

C16H22N2O3S2 — CID 97082517

IUPAC(4R)-N-(2-methylpropyl)-3-[4-[(S)-methylsulfinyl]benzoyl]-1,3-thiazolidine-4-carboxamide
SMILESCC(C)CNC(=O)[C@@H]1CSCN1C(=O)c1ccc([S@](C)=O)cc1
InChIInChI=1S/C16H22N2O3S2/c1-11(2)8-17-15(19)14-9-22-10-18(14)16(20)12-4-6-13(7-5-12)23(3)21/h4-7,11,14H,8-10H2,1-3H3,(H,17,19)/t14-,23-/m0/s1
InChIKeyWVKSVDZLBOVKJT-PSLXWICFSA-N
MW354.50 g/mol
LogP1.71
Rot. Bonds5

About (4R)-N-(2-methylpropyl)-3-[4-[(S)-methylsulfinyl]benzoyl]-1,3-thiazolidine-4-carboxamide

(4R)-N-(2-methylpropyl)-3-[4-[(S)-methylsulfinyl]benzoyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 97082517) has the molecular formula C16H22N2O3S2 and a molecular weight of 354.50 g/mol. Its IUPAC name is (4R)-N-(2-methylpropyl)-3-[4-[(S)-methylsulfinyl]benzoyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-(2-methylpropyl)-3-[4-[(S)-methylsulfinyl]benzoyl]-1,3-thiazolidine-4-carboxamide
PubChem CID97082517
Molecular FormulaC16H22N2O3S2
Molecular Weight354.50 g/mol
Exact Mass354.11
IUPAC Name(4R)-N-(2-methylpropyl)-3-[4-[(S)-methylsulfinyl]benzoyl]-1,3-thiazolidine-4-carboxamide
SMILESCC(C)CNC(=O)[C@@H]1CSCN1C(=O)c1ccc([S@](C)=O)cc1
InChIInChI=1S/C16H22N2O3S2/c1-11(2)8-17-15(19)14-9-22-10-18(14)16(20)12-4-6-13(7-5-12)23(3)21/h4-7,11,14H,8-10H2,1-3H3,(H,17,19)/t14-,23-/m0/s1
InChIKeyWVKSVDZLBOVKJT-PSLXWICFSA-N
XLogP1.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R)-N-(2-methylpropyl)-3-[4-[(S)-methylsulfinyl]benzoyl]-1,3-thiazolidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-benzoyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 4543944
3-benzoyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide
CID 120831309
3-[[3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoic acid
CID 119237397
(4S)-N-(3-methylbutyl)-3-[4-(pyrrolidin-1-ylmethyl)benzoyl]-1,3-thiazolidine-4-carboxamide
CID 97315657
N-(2-methylpropyl)-3-[2-(4-nitrophenyl)acetyl]-1,3-thiazolidine-4-carboxamide
CID 60609238
methyl 2-[[(4R)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]amino]acetate
CID 95297675
3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 60609103
(4R)-N-[(2S)-butan-2-yl]-3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 93041089
3-benzoyl-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 55511876
methyl 4-[2-[(3-benzoyl-1,3-thiazolidine-4-carbonyl)amino]ethyl]benzoate
CID 55515178
N-butan-2-yl-3-(4-phenylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 60609336
3-(4-chlorobenzoyl)-N-[2-(ethylamino)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119507547

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(2-methylpropyl)-3-[4-[(S)-methylsulfinyl]benzoyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-N-(2-methylpropyl)-3-[4-[(S)-methylsulfinyl]benzoyl]-1,3-thiazolidine-4-carboxamide (CID 97082517) is (4R)-N-(2-methylpropyl)-3-[4-[(S)-methylsulfinyl]benzoyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-(2-methylpropyl)-3-[4-[(S)-methylsulfinyl]benzoyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-(2-methylpropyl)-3-[4-[(S)-methylsulfinyl]benzoyl]-1,3-thiazolidine-4-carboxamide is CC(C)CNC(=O)[C@@H]1CSCN1C(=O)c1ccc([S@](C)=O)cc1.
What is the InChIKey of (4R)-N-(2-methylpropyl)-3-[4-[(S)-methylsulfinyl]benzoyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is WVKSVDZLBOVKJT-PSLXWICFSA-N. The full InChI is InChI=1S/C16H22N2O3S2/c1-11(2)8-17-15(19)14-9-22-10-18(14)16(20)12-4-6-13(7-5-12)23(3)21/h4-7,11,14H,8-10H2,1-3H3,(H,17,19)/t14-,23-/m0/s1.
What are the key properties of (4R)-N-(2-methylpropyl)-3-[4-[(S)-methylsulfinyl]benzoyl]-1,3-thiazolidine-4-carboxamide?
(4R)-N-(2-methylpropyl)-3-[4-[(S)-methylsulfinyl]benzoyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 354.50 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(2-methylpropyl)-3-[4-[(S)-methylsulfinyl]benzoyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 97082517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).