N,N-diethyl-3-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide

C16H21N3O3S — CID 18090317

IUPACN,N-diethyl-3-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CN2CCSC2=O)c1
InChIInChI=1S/C16H21N3O3S/c1-3-18(4-2)15(21)12-6-5-7-13(10-12)17-14(20)11-19-8-9-23-16(19)22/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,17,20)
InChIKeyWTUCBUCYIVUBBF-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.28
Rot. Bonds6

About N,N-diethyl-3-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide

N,N-diethyl-3-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide (PubChem CID 18090317) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is N,N-diethyl-3-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-3-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide
PubChem CID18090317
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC NameN,N-diethyl-3-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CN2CCSC2=O)c1
InChIInChI=1S/C16H21N3O3S/c1-3-18(4-2)15(21)12-6-5-7-13(10-12)17-14(20)11-19-8-9-23-16(19)22/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,17,20)
InChIKeyWTUCBUCYIVUBBF-UHFFFAOYSA-N
XLogP2.28
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetylphenyl)-2-(pyrrolidin-1-yl)acetamide
CID 930524
4-dimethylamino-N-(5-(2-mercaptoacetylamino)pentyl)benzamide
CID 11267278
5-[(3-Methylphenyl)amino]-1,3-thiazolidine-2,4-dione
CID 2770839
(2S)-N-[(2S)-1-(3-methylanilino)-1-oxo-7-sulfanylheptan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 118721860
Me-D-Pyr-Nle(MeSH)-NHPh(3-Me)
CID 118721862
N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 2462605
2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(3-methylphenyl)acetamide
CID 3155225
3-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)benzamide
CID 6621946
N-[3-(4-benzylsulfonylpiperazine-1-carbonyl)phenyl]acetamide
CID 8900561
N-{3-[(isopropylamino)carbonyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
CID 22553945
3-(dimethylamino)-N-(3-phenylsulfanylpropyl)benzamide
CID 24818355
3-(2-Oxo-pyrrolidin-1-yl)-N-phenyl-benzamide
CID 648738

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide?
The IUPAC name of N,N-diethyl-3-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide (CID 18090317) is N,N-diethyl-3-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-3-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-3-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide is CCN(CC)C(=O)c1cccc(NC(=O)CN2CCSC2=O)c1.
What is the InChIKey of N,N-diethyl-3-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide?
The InChIKey is WTUCBUCYIVUBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-3-18(4-2)15(21)12-6-5-7-13(10-12)17-14(20)11-19-8-9-23-16(19)22/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,17,20).
What are the key properties of N,N-diethyl-3-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide?
N,N-diethyl-3-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide has a molecular weight of 335.43 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide is sourced from PubChem (CID 18090317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).