(5S)-5-methyl-1,1-dioxo-2-phenyl-N-(4-propan-2-yloxyphenyl)-1,2-thiazolidine-5-carboxamide

C20H24N2O4S — CID 100783474

IUPAC(5S)-5-methyl-1,1-dioxo-2-phenyl-N-(4-propan-2-yloxyphenyl)-1,2-thiazolidine-5-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)[C@]2(C)CCN(c3ccccc3)S2(=O)=O)cc1
InChIInChI=1S/C20H24N2O4S/c1-15(2)26-18-11-9-16(10-12-18)21-19(23)20(3)13-14-22(27(20,24)25)17-7-5-4-6-8-17/h4-12,15H,13-14H2,1-3H3,(H,21,23)/t20-/m0/s1
InChIKeyOWTLTJODNAJOJI-FQEVSTJZSA-N
MW388.49 g/mol
LogP3.41
Rot. Bonds5

About (5S)-5-methyl-1,1-dioxo-2-phenyl-N-(4-propan-2-yloxyphenyl)-1,2-thiazolidine-5-carboxamide

(5S)-5-methyl-1,1-dioxo-2-phenyl-N-(4-propan-2-yloxyphenyl)-1,2-thiazolidine-5-carboxamide (PubChem CID 100783474) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is (5S)-5-methyl-1,1-dioxo-2-phenyl-N-(4-propan-2-yloxyphenyl)-1,2-thiazolidine-5-carboxamide.

Molecular Properties

Compound Name(5S)-5-methyl-1,1-dioxo-2-phenyl-N-(4-propan-2-yloxyphenyl)-1,2-thiazolidine-5-carboxamide
PubChem CID100783474
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name(5S)-5-methyl-1,1-dioxo-2-phenyl-N-(4-propan-2-yloxyphenyl)-1,2-thiazolidine-5-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)[C@]2(C)CCN(c3ccccc3)S2(=O)=O)cc1
InChIInChI=1S/C20H24N2O4S/c1-15(2)26-18-11-9-16(10-12-18)21-19(23)20(3)13-14-22(27(20,24)25)17-7-5-4-6-8-17/h4-12,15H,13-14H2,1-3H3,(H,21,23)/t20-/m0/s1
InChIKeyOWTLTJODNAJOJI-FQEVSTJZSA-N
XLogP3.41
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-N-(4-methoxyphenyl)-5-methyl-1,1-dioxo-2-phenyl-1,2-thiazolidine-5-carboxamide
CID 100783459
(6S)-2-(4-methoxyphenyl)-6-methyl-1,1-dioxo-N-(4-propan-2-yloxyphenyl)thiazinane-6-carboxamide
CID 100783860
ethyl 2-[4-[[(5S)-5-methyl-1,1-dioxo-2-phenyl-1,2-thiazolidine-5-carbonyl]amino]phenoxy]acetate
CID 100783577
2-(2,6-dimethylphenyl)-6-methyl-1,1-dioxo-N-(4-propan-2-yloxyphenyl)thiazinane-6-carboxamide
CID 133230240
(6R)-2-(2,6-dimethylphenyl)-6-methyl-1,1-dioxo-N-(4-propan-2-yloxyphenyl)thiazinane-6-carboxamide
CID 125063180
2,6-dimethyl-1,1-dioxo-N-(4-propan-2-yloxyphenyl)thiazinane-6-carboxamide
CID 133230278
6-methyl-1,1-dioxo-2-phenyl-N-[4-(thietan-3-yloxy)phenyl]thiazinane-6-carboxamide
CID 133230237
(5R)-2-(2,6-dimethylphenyl)-N-(4-ethoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide
CID 100783185
(1R,5R)-3-(4-methoxyphenyl)-2,2-dioxo-N-(4-propan-2-yloxyphenyl)-2λ6-thia-3-azabicyclo[3.1.0]hexane-1-carboxamide
CID 125064059
(5S)-2-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide
CID 100783132
2-oxo-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)acetamide
CID 108985742
2-(2,6-dimethylphenyl)-N-(4-methoxyphenyl)-6-methyl-1,1-dioxothiazinane-6-carboxamide
CID 133230238

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-1,1-dioxo-2-phenyl-N-(4-propan-2-yloxyphenyl)-1,2-thiazolidine-5-carboxamide?
The IUPAC name of (5S)-5-methyl-1,1-dioxo-2-phenyl-N-(4-propan-2-yloxyphenyl)-1,2-thiazolidine-5-carboxamide (CID 100783474) is (5S)-5-methyl-1,1-dioxo-2-phenyl-N-(4-propan-2-yloxyphenyl)-1,2-thiazolidine-5-carboxamide.
What is the SMILES notation for (5S)-5-methyl-1,1-dioxo-2-phenyl-N-(4-propan-2-yloxyphenyl)-1,2-thiazolidine-5-carboxamide?
The canonical SMILES for (5S)-5-methyl-1,1-dioxo-2-phenyl-N-(4-propan-2-yloxyphenyl)-1,2-thiazolidine-5-carboxamide is CC(C)Oc1ccc(NC(=O)[C@]2(C)CCN(c3ccccc3)S2(=O)=O)cc1.
What is the InChIKey of (5S)-5-methyl-1,1-dioxo-2-phenyl-N-(4-propan-2-yloxyphenyl)-1,2-thiazolidine-5-carboxamide?
The InChIKey is OWTLTJODNAJOJI-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-15(2)26-18-11-9-16(10-12-18)21-19(23)20(3)13-14-22(27(20,24)25)17-7-5-4-6-8-17/h4-12,15H,13-14H2,1-3H3,(H,21,23)/t20-/m0/s1.
What are the key properties of (5S)-5-methyl-1,1-dioxo-2-phenyl-N-(4-propan-2-yloxyphenyl)-1,2-thiazolidine-5-carboxamide?
(5S)-5-methyl-1,1-dioxo-2-phenyl-N-(4-propan-2-yloxyphenyl)-1,2-thiazolidine-5-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-1,1-dioxo-2-phenyl-N-(4-propan-2-yloxyphenyl)-1,2-thiazolidine-5-carboxamide is sourced from PubChem (CID 100783474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).