3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide

C19H22N2O4S — CID 25493244

IUPAC3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)c1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C19H22N2O4S/c1-14(17-9-3-4-10-18(17)25-2)20-19(22)15-7-5-8-16(13-15)21-11-6-12-26(21,23)24/h3-5,7-10,13-14H,6,11-12H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeyJIUUURIWLKTBKY-CQSZACIVSA-N
MW374.46 g/mol
LogP2.73
Rot. Bonds5

About 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide

3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide (PubChem CID 25493244) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
PubChem CID25493244
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)c1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C19H22N2O4S/c1-14(17-9-3-4-10-18(17)25-2)20-19(22)15-7-5-8-16(13-15)21-11-6-12-26(21,23)24/h3-5,7-10,13-14H,6,11-12H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeyJIUUURIWLKTBKY-CQSZACIVSA-N
XLogP2.73
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 55523206
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[1-(4-methylphenyl)ethyl]benzamide
CID 46586730
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]benzamide
CID 42333076
3-(1,1-dioxothiazinan-2-yl)-N-(2-methoxyphenyl)benzamide
CID 7686104
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-methoxyphenyl)-phenylmethyl]benzamide
CID 24596783
N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 41483297
(2S,3S)-2-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]-3-methylpentanoic acid
CID 119194008
N-[1-(4-tert-butylphenyl)ethyl]-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 132664679
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 18591757
methyl 2-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]benzoate
CID 18134729
N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 7719095
3-iodo-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
CID 7719108

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide (CID 25493244) is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide is COc1ccccc1[C@@H](C)NC(=O)c1cccc(N2CCCS2(=O)=O)c1.
What is the InChIKey of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide?
The InChIKey is JIUUURIWLKTBKY-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-14(17-9-3-4-10-18(17)25-2)20-19(22)15-7-5-8-16(13-15)21-11-6-12-26(21,23)24/h3-5,7-10,13-14H,6,11-12H2,1-2H3,(H,20,22)/t14-/m1/s1.
What are the key properties of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide?
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide has a molecular weight of 374.46 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 25493244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).