2-chloro-N-ethyl-N-phenyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

C18H17ClN2O4S — CID 20996972

IUPAC2-chloro-N-ethyl-N-phenyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCCN(C(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl)c1ccccc1
InChIInChI=1S/C18H17ClN2O4S/c1-2-20(13-6-4-3-5-7-13)18(23)15-9-8-14(12-16(15)19)21-17(22)10-11-26(21,24)25/h3-9,12H,2,10-11H2,1H3
InChIKeyYTBMKMGUBLCWIP-UHFFFAOYSA-N
MW392.86 g/mol
LogP3.07
Rot. Bonds4

About 2-chloro-N-ethyl-N-phenyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

2-chloro-N-ethyl-N-phenyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 20996972) has the molecular formula C18H17ClN2O4S and a molecular weight of 392.86 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-phenyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-phenyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID20996972
Molecular FormulaC18H17ClN2O4S
Molecular Weight392.86 g/mol
Exact Mass392.06
IUPAC Name2-chloro-N-ethyl-N-phenyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCCN(C(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl)c1ccccc1
InChIInChI=1S/C18H17ClN2O4S/c1-2-20(13-6-4-3-5-7-13)18(23)15-9-8-14(12-16(15)19)21-17(22)10-11-26(21,24)25/h3-9,12H,2,10-11H2,1H3
InChIKeyYTBMKMGUBLCWIP-UHFFFAOYSA-N
XLogP3.07
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-phenyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of 2-chloro-N-ethyl-N-phenyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (CID 20996972) is 2-chloro-N-ethyl-N-phenyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for 2-chloro-N-ethyl-N-phenyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for 2-chloro-N-ethyl-N-phenyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is CCN(C(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-ethyl-N-phenyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is YTBMKMGUBLCWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4S/c1-2-20(13-6-4-3-5-7-13)18(23)15-9-8-14(12-16(15)19)21-17(22)10-11-26(21,24)25/h3-9,12H,2,10-11H2,1H3.
What are the key properties of 2-chloro-N-ethyl-N-phenyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
2-chloro-N-ethyl-N-phenyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 392.86 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-phenyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 20996972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).