(5S)-2-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide

C19H21ClN2O5S — CID 100783132

IUPAC(5S)-2-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide
SMILESCOc1ccc(NC(=O)[C@]2(C)CCN(c3ccc(Cl)cc3)S2(=O)=O)cc1OC
InChIInChI=1S/C19H21ClN2O5S/c1-19(18(23)21-14-6-9-16(26-2)17(12-14)27-3)10-11-22(28(19,24)25)15-7-4-13(20)5-8-15/h4-9,12H,10-11H2,1-3H3,(H,21,23)/t19-/m0/s1
InChIKeyPLMQAZIYIKNDBV-IBGZPJMESA-N
MW424.91 g/mol
LogP3.29
Rot. Bonds5

About (5S)-2-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide

(5S)-2-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide (PubChem CID 100783132) has the molecular formula C19H21ClN2O5S and a molecular weight of 424.91 g/mol. Its IUPAC name is (5S)-2-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide.

Molecular Properties

Compound Name(5S)-2-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide
PubChem CID100783132
Molecular FormulaC19H21ClN2O5S
Molecular Weight424.91 g/mol
Exact Mass424.09
IUPAC Name(5S)-2-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide
SMILESCOc1ccc(NC(=O)[C@]2(C)CCN(c3ccc(Cl)cc3)S2(=O)=O)cc1OC
InChIInChI=1S/C19H21ClN2O5S/c1-19(18(23)21-14-6-9-16(26-2)17(12-14)27-3)10-11-22(28(19,24)25)15-7-4-13(20)5-8-15/h4-9,12H,10-11H2,1-3H3,(H,21,23)/t19-/m0/s1
InChIKeyPLMQAZIYIKNDBV-IBGZPJMESA-N
XLogP3.29
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.91
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6S)-N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)-6-methyl-1,1-dioxothiazinane-6-carboxamide
CID 100783690
(5S)-N-(4-methoxyphenyl)-5-methyl-1,1-dioxo-2-phenyl-1,2-thiazolidine-5-carboxamide
CID 100783459
(5R)-2-(4-methoxyphenyl)-5-methyl-1,1-dioxo-N-[4-(trifluoromethoxy)phenyl]-1,2-thiazolidine-5-carboxamide
CID 125064057
(6S)-2-(4-methoxyphenyl)-6-methyl-1,1-dioxo-N-(4-propan-2-yloxyphenyl)thiazinane-6-carboxamide
CID 100783860
(1R,5S)-N-(3,4-dimethoxyphenyl)-2,2-dioxo-3-phenyl-2λ6-thia-3-azabicyclo[3.1.0]hexane-1-carboxamide
CID 125063514
1-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 55034788
N-(3,4-dimethoxyphenyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108974020
N-(3,4-dimethoxyphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7685697
3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 19220838
ethyl 2-[4-[[(5S)-5-methyl-1,1-dioxo-2-phenyl-1,2-thiazolidine-5-carbonyl]amino]phenoxy]acetate
CID 100783577
1-cyano-N-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 80599311
1-(3,4-dimethoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108866230

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide?
The IUPAC name of (5S)-2-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide (CID 100783132) is (5S)-2-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide.
What is the SMILES notation for (5S)-2-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide?
The canonical SMILES for (5S)-2-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide is COc1ccc(NC(=O)[C@]2(C)CCN(c3ccc(Cl)cc3)S2(=O)=O)cc1OC.
What is the InChIKey of (5S)-2-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide?
The InChIKey is PLMQAZIYIKNDBV-IBGZPJMESA-N. The full InChI is InChI=1S/C19H21ClN2O5S/c1-19(18(23)21-14-6-9-16(26-2)17(12-14)27-3)10-11-22(28(19,24)25)15-7-4-13(20)5-8-15/h4-9,12H,10-11H2,1-3H3,(H,21,23)/t19-/m0/s1.
What are the key properties of (5S)-2-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide?
(5S)-2-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide has a molecular weight of 424.91 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide is sourced from PubChem (CID 100783132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).