N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-methoxybenzamide

C18H20N2O4S — CID 7627668

IUPACN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1C
InChIInChI=1S/C18H20N2O4S/c1-13-12-14(20-10-5-11-25(20,22)23)8-9-16(13)19-18(21)15-6-3-4-7-17(15)24-2/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,19,21)
InChIKeyBHOLDFLMHNLSJC-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.80
Rot. Bonds4

About N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-methoxybenzamide

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-methoxybenzamide (PubChem CID 7627668) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-methoxybenzamide
PubChem CID7627668
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1C
InChIInChI=1S/C18H20N2O4S/c1-13-12-14(20-10-5-11-25(20,22)23)8-9-16(13)19-18(21)15-6-3-4-7-17(15)24-2/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,19,21)
InChIKeyBHOLDFLMHNLSJC-UHFFFAOYSA-N
XLogP2.80
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-methylbenzamide
CID 7627594
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-ethoxybenzamide
CID 7483175
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-oxochromene-3-carboxamide
CID 7482980
5-chloro-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-methoxybenzamide
CID 7483243
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]naphthalene-2-carboxamide
CID 7482934
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3,4-dimethylbenzamide
CID 7483263
ethyl N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]carbamate
CID 7627634
N-(3-amino-4-methoxyphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide
CID 119420115
3-(1,1-dioxothiazinan-2-yl)-N-(2-methoxyphenyl)benzamide
CID 7686104
phenyl N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]carbamate
CID 7627629
methyl 4-[(2-methoxybenzoyl)amino]-3-methylbenzoate
CID 36928114
2-chloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-6-fluorobenzamide
CID 7482972

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-methoxybenzamide?
The IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-methoxybenzamide (CID 7627668) is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-methoxybenzamide.
What is the SMILES notation for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-methoxybenzamide?
The canonical SMILES for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1C.
What is the InChIKey of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-methoxybenzamide?
The InChIKey is BHOLDFLMHNLSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-13-12-14(20-10-5-11-25(20,22)23)8-9-16(13)19-18(21)15-6-3-4-7-17(15)24-2/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,19,21).
What are the key properties of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-methoxybenzamide?
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-methoxybenzamide has a molecular weight of 360.44 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-methoxybenzamide is sourced from PubChem (CID 7627668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).