N-(4-chloro-2-methoxy-5-methylphenyl)-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide

C19H17ClN2O4S — CID 36806818

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cccc(CN2C(=O)CSC2=O)c1
InChIInChI=1S/C19H17ClN2O4S/c1-11-6-15(16(26-2)8-14(11)20)21-18(24)13-5-3-4-12(7-13)9-22-17(23)10-27-19(22)25/h3-8H,9-10H2,1-2H3,(H,21,24)
InChIKeyXDSSRMAENCRCKG-UHFFFAOYSA-N
MW404.88 g/mol
LogP4.10
Rot. Bonds5

About N-(4-chloro-2-methoxy-5-methylphenyl)-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide

N-(4-chloro-2-methoxy-5-methylphenyl)-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide (PubChem CID 36806818) has the molecular formula C19H17ClN2O4S and a molecular weight of 404.88 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide
PubChem CID36806818
Molecular FormulaC19H17ClN2O4S
Molecular Weight404.88 g/mol
Exact Mass404.06
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cccc(CN2C(=O)CSC2=O)c1
InChIInChI=1S/C19H17ClN2O4S/c1-11-6-15(16(26-2)8-14(11)20)21-18(24)13-5-3-4-12(7-13)9-22-17(23)10-27-19(22)25/h3-8H,9-10H2,1-2H3,(H,21,24)
InChIKeyXDSSRMAENCRCKG-UHFFFAOYSA-N
XLogP4.10
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.88
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide
CID 55547898
N-(2-chloro-4-fluorophenyl)-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide
CID 55542286
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxy-4-methylbenzamide
CID 9083792
N-(4-bromophenyl)-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide
CID 36704293
1-N-(4-chloro-2-methoxy-5-methylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050654
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylsulfonylbenzamide
CID 2668918
ethyl N-[3-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl]carbamate
CID 9270970
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 18081318
3-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide
CID 81456873
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 46581552
N-(4-cyclopentylsulfonylphenyl)-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide
CID 55611099
N-(4-chloro-2-methoxy-5-methylphenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 110600886

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide (CID 36806818) is N-(4-chloro-2-methoxy-5-methylphenyl)-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide is COc1cc(Cl)c(C)cc1NC(=O)c1cccc(CN2C(=O)CSC2=O)c1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide?
The InChIKey is XDSSRMAENCRCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4S/c1-11-6-15(16(26-2)8-14(11)20)21-18(24)13-5-3-4-12(7-13)9-22-17(23)10-27-19(22)25/h3-8H,9-10H2,1-2H3,(H,21,24).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide has a molecular weight of 404.88 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide is sourced from PubChem (CID 36806818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).