N-benzyl-N-[(2R)-butan-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

C21H26N2O3S — CID 30173781

IUPACN-benzyl-N-[(2R)-butan-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCC[C@@H](C)N(Cc1ccccc1)C(=O)c1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C21H26N2O3S/c1-3-17(2)22(16-18-9-5-4-6-10-18)21(24)19-11-7-12-20(15-19)23-13-8-14-27(23,25)26/h4-7,9-12,15,17H,3,8,13-14,16H2,1-2H3/t17-/m1/s1
InChIKeyVAIKTNHHNAEWMS-QGZVFWFLSA-N
MW386.52 g/mol
LogP3.67
Rot. Bonds6

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

N-benzyl-N-[(2R)-butan-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 30173781) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-benzyl-N-[(2R)-butan-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-benzyl-N-[(2R)-butan-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID30173781
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-benzyl-N-[(2R)-butan-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCC[C@@H](C)N(Cc1ccccc1)C(=O)c1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C21H26N2O3S/c1-3-17(2)22(16-18-9-5-4-6-10-18)21(24)19-11-7-12-20(15-19)23-13-8-14-27(23,25)26/h4-7,9-12,15,17H,3,8,13-14,16H2,1-2H3/t17-/m1/s1
InChIKeyVAIKTNHHNAEWMS-QGZVFWFLSA-N
XLogP3.67
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethyl-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 95286048
N-benzyl-N-[2-(dimethylamino)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 134012235
N-[2-(benzylamino)-2-oxoethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 55676305
N-[(1S)-1-cyclopropylethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylbenzamide
CID 97310886
(2S,3S)-2-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]-3-methylpentanoic acid
CID 119194008
4-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]-N,N-diethylpiperazine-1-carboxamide
CID 34220448
N-[1-(4-chlorophenyl)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylbenzamide
CID 134004004
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylbenzamide
CID 55499228
3-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-phenylbenzamide
CID 46475375
5-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222188
N-benzyl-N-butan-2-yl-3-(propan-2-ylcarbamoylamino)benzamide
CID 56536452
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-(methylamino)propyl]benzamide
CID 119433279

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(2R)-butan-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-benzyl-N-[(2R)-butan-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (CID 30173781) is N-benzyl-N-[(2R)-butan-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-benzyl-N-[(2R)-butan-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-benzyl-N-[(2R)-butan-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is CC[C@@H](C)N(Cc1ccccc1)C(=O)c1cccc(N2CCCS2(=O)=O)c1.
What is the InChIKey of N-benzyl-N-[(2R)-butan-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is VAIKTNHHNAEWMS-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-3-17(2)22(16-18-9-5-4-6-10-18)21(24)19-11-7-12-20(15-19)23-13-8-14-27(23,25)26/h4-7,9-12,15,17H,3,8,13-14,16H2,1-2H3/t17-/m1/s1.
What are the key properties of N-benzyl-N-[(2R)-butan-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
N-benzyl-N-[(2R)-butan-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 386.52 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(2R)-butan-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 30173781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).