3-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methyl-N,N-dipropylbenzamide

C17H26N2O3S — CID 142843911

IUPAC3-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methyl-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cc(C)cc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C17H26N2O3S/c1-4-7-18(8-5-2)17(20)15-11-14(3)12-16(13-15)19-9-6-10-23(19,21)22/h11-13H,4-10H2,1-3H3
InChIKeyQVMRRRCFXGZAQE-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.80
Rot. Bonds6

About 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methyl-N,N-dipropylbenzamide

3-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methyl-N,N-dipropylbenzamide (PubChem CID 142843911) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methyl-N,N-dipropylbenzamide.

Molecular Properties

Compound Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methyl-N,N-dipropylbenzamide
PubChem CID142843911
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methyl-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cc(C)cc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C17H26N2O3S/c1-4-7-18(8-5-2)17(20)15-11-14(3)12-16(13-15)19-9-6-10-23(19,21)22/h11-13H,4-10H2,1-3H3
InChIKeyQVMRRRCFXGZAQE-UHFFFAOYSA-N
XLogP2.80
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methyl-N,N-dipropylbenzamide?
The IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methyl-N,N-dipropylbenzamide (CID 142843911) is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methyl-N,N-dipropylbenzamide.
What is the SMILES notation for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methyl-N,N-dipropylbenzamide?
The canonical SMILES for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methyl-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1cc(C)cc(N2CCCS2(=O)=O)c1.
What is the InChIKey of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methyl-N,N-dipropylbenzamide?
The InChIKey is QVMRRRCFXGZAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-4-7-18(8-5-2)17(20)15-11-14(3)12-16(13-15)19-9-6-10-23(19,21)22/h11-13H,4-10H2,1-3H3.
What are the key properties of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methyl-N,N-dipropylbenzamide?
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methyl-N,N-dipropylbenzamide has a molecular weight of 338.47 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methyl-N,N-dipropylbenzamide is sourced from PubChem (CID 142843911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).