N-(3-amino-4-methoxyphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide

C18H21N3O4S — CID 119420115

IUPACN-(3-amino-4-methoxyphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2C)cc1N
InChIInChI=1S/C18H21N3O4S/c1-12-10-14(21-8-3-9-26(21,23)24)5-6-15(12)18(22)20-13-4-7-17(25-2)16(19)11-13/h4-7,10-11H,3,8-9,19H2,1-2H3,(H,20,22)
InChIKeyNPQBNIDKEFENDE-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.38
Rot. Bonds4

About N-(3-amino-4-methoxyphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide

N-(3-amino-4-methoxyphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide (PubChem CID 119420115) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide
PubChem CID119420115
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC NameN-(3-amino-4-methoxyphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2C)cc1N
InChIInChI=1S/C18H21N3O4S/c1-12-10-14(21-8-3-9-26(21,23)24)5-6-15(12)18(22)20-13-4-7-17(25-2)16(19)11-13/h4-7,10-11H,3,8-9,19H2,1-2H3,(H,20,22)
InChIKeyNPQBNIDKEFENDE-UHFFFAOYSA-N
XLogP2.38
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-benzamido-4-methylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide
CID 90130016
N-(3,4-dimethoxyphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7685697
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-methylbenzamide
CID 7627594
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-methoxybenzamide
CID 7627668
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3,4-dimethylbenzamide
CID 7483263
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxybenzoic acid
CID 71252082
ethyl N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]carbamate
CID 7627634
(2R)-2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzoyl]amino]-3-methylbutanoic acid
CID 119368089
5-chloro-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-methoxybenzamide
CID 7483243
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyphenyl]-2-fluorobenzamide
CID 112505896
(2S)-2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzoyl]amino]propanoic acid
CID 119942706
methyl N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]carbamate
CID 7638849

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide (CID 119420115) is N-(3-amino-4-methoxyphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide is COc1ccc(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2C)cc1N.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide?
The InChIKey is NPQBNIDKEFENDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-12-10-14(21-8-3-9-26(21,23)24)5-6-15(12)18(22)20-13-4-7-17(25-2)16(19)11-13/h4-7,10-11H,3,8-9,19H2,1-2H3,(H,20,22).
What are the key properties of N-(3-amino-4-methoxyphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide?
N-(3-amino-4-methoxyphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide has a molecular weight of 375.45 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide is sourced from PubChem (CID 119420115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).