N-(3-benzamido-4-methylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide

C25H25N3O4S — CID 90130016

IUPACN-(3-benzamido-4-methylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide
SMILESCc1ccc(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2C)cc1NC(=O)c1ccccc1
InChIInChI=1S/C25H25N3O4S/c1-17-9-10-20(16-23(17)27-24(29)19-7-4-3-5-8-19)26-25(30)22-12-11-21(15-18(22)2)28-13-6-14-33(28,31)32/h3-5,7-12,15-16H,6,13-14H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyULLMENALSOVXEI-UHFFFAOYSA-N
MW463.56 g/mol
LogP4.35
Rot. Bonds5

About N-(3-benzamido-4-methylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide

N-(3-benzamido-4-methylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide (PubChem CID 90130016) has the molecular formula C25H25N3O4S and a molecular weight of 463.56 g/mol. Its IUPAC name is N-(3-benzamido-4-methylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(3-benzamido-4-methylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide
PubChem CID90130016
Molecular FormulaC25H25N3O4S
Molecular Weight463.56 g/mol
Exact Mass463.16
IUPAC NameN-(3-benzamido-4-methylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide
SMILESCc1ccc(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2C)cc1NC(=O)c1ccccc1
InChIInChI=1S/C25H25N3O4S/c1-17-9-10-20(16-23(17)27-24(29)19-7-4-3-5-8-19)26-25(30)22-12-11-21(15-18(22)2)28-13-6-14-33(28,31)32/h3-5,7-12,15-16H,6,13-14H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyULLMENALSOVXEI-UHFFFAOYSA-N
XLogP4.35
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-benzamido-4-chlorophenyl)-4-(1,1-dioxothiazetidin-2-yl)-2-methylbenzamide
CID 90129924
4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 55535899
N-(3-benzamido-4-chlorophenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-methylbenzamide
CID 90130358
N-(5-acetyl-2-methylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 110618406
N-(3-benzamidophenyl)-2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide
CID 90130522
N-(3-amino-4-methoxyphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide
CID 119420115
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(ethylaminomethyl)phenyl]-2-methylbenzamide
CID 119440347
N-(3-benzamido-4-chlorophenyl)-2-chloro-4-(1,1-dioxothiazinan-2-yl)benzamide;N-(3-benzamido-4-chlorophenyl)-4-(1,1-dioxothiazinan-2-yl)-2-fluorobenzamide;N-[3-[(3-chlorobenzoyl)amino]-4-methylphenyl]-4-(1,1-dioxothiazinan-2-yl)-2-fluorobenzamide;N-[2-chloro-5-[[4-(1,1-dioxothiazinan-2-yl)benzoyl]amino]phenyl]pyridine-3-carboxamide
CID 159030255
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-4-ethoxybenzamide
CID 7483201
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methylbenzamide
CID 7627515
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-ethoxybenzamide
CID 7483175
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-methyl-4-nitrobenzamide
CID 7483183

Frequently Asked Questions

What is the IUPAC name of N-(3-benzamido-4-methylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide?
The IUPAC name of N-(3-benzamido-4-methylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide (CID 90130016) is N-(3-benzamido-4-methylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide.
What is the SMILES notation for N-(3-benzamido-4-methylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide?
The canonical SMILES for N-(3-benzamido-4-methylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide is Cc1ccc(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2C)cc1NC(=O)c1ccccc1.
What is the InChIKey of N-(3-benzamido-4-methylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide?
The InChIKey is ULLMENALSOVXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4S/c1-17-9-10-20(16-23(17)27-24(29)19-7-4-3-5-8-19)26-25(30)22-12-11-21(15-18(22)2)28-13-6-14-33(28,31)32/h3-5,7-12,15-16H,6,13-14H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of N-(3-benzamido-4-methylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide?
N-(3-benzamido-4-methylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide has a molecular weight of 463.56 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzamido-4-methylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide is sourced from PubChem (CID 90130016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).