N-[2-(dimethylamino)ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

C14H19N3O4S — CID 21006820

IUPACN-[2-(dimethylamino)ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCN(C)CCNC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1
InChIInChI=1S/C14H19N3O4S/c1-16(2)9-8-15-14(19)11-3-5-12(6-4-11)17-13(18)7-10-22(17,20)21/h3-6H,7-10H2,1-2H3,(H,15,19)
InChIKeyXDZQZYDNTYQJPL-UHFFFAOYSA-N
MW325.39 g/mol
LogP0.04
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

N-[2-(dimethylamino)ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 21006820) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID21006820
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC NameN-[2-(dimethylamino)ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCN(C)CCNC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1
InChIInChI=1S/C14H19N3O4S/c1-16(2)9-8-15-14(19)11-3-5-12(6-4-11)17-13(18)7-10-22(17,20)21/h3-6H,7-10H2,1-2H3,(H,15,19)
InChIKeyXDZQZYDNTYQJPL-UHFFFAOYSA-N
XLogP0.04
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[2-(dimethylamino)ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007121
N-[2-[2-(diethylamino)ethoxy]ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 110618492
N-[2-(dimethylamino)ethyl]-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42356079
N-(2,2-dimethoxyethyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21006832
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 110310142
N-(2-methyl-3-phenylpropyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 110616599
N-[(2-methyl-1H-indol-5-yl)methyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 110425565
N-methyl-2-[[4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]amino]benzamide
CID 110407862
N-[2-(dimethylamino)ethyl]-4-sulfanylbenzamide
CID 107019569
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21006852
4-carbamothioyl-N-[2-(dimethylamino)ethyl]benzamide
CID 24701967
2-chloro-N-(4-methoxybutyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 110416362

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (CID 21006820) is N-[2-(dimethylamino)ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is CN(C)CCNC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is XDZQZYDNTYQJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-16(2)9-8-15-14(19)11-3-5-12(6-4-11)17-13(18)7-10-22(17,20)21/h3-6H,7-10H2,1-2H3,(H,15,19).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
N-[2-(dimethylamino)ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 325.39 g/mol, XLogP of 0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 21006820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).