4-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]-N-(1,3-thiazol-2-yl)benzamide

C20H18N4O4S2 — CID 55669414

IUPAC4-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1ccc(C(=O)Nc2nccs2)cc1)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C20H18N4O4S2/c25-18(15-4-8-17(9-5-15)24-11-1-13-30(24,27)28)22-16-6-2-14(3-7-16)19(26)23-20-21-10-12-29-20/h2-10,12H,1,11,13H2,(H,22,25)(H,21,23,26)
InChIKeyHHFVTMGWMNNMQC-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.19
Rot. Bonds5

About 4-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]-N-(1,3-thiazol-2-yl)benzamide

4-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 55669414) has the molecular formula C20H18N4O4S2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 4-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]-N-(1,3-thiazol-2-yl)benzamide
PubChem CID55669414
Molecular FormulaC20H18N4O4S2
Molecular Weight442.52 g/mol
Exact Mass442.08
IUPAC Name4-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1ccc(C(=O)Nc2nccs2)cc1)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C20H18N4O4S2/c25-18(15-4-8-17(9-5-15)24-11-1-13-30(24,27)28)22-16-6-2-14(3-7-16)19(26)23-20-21-10-12-29-20/h2-10,12H,1,11,13H2,(H,22,25)(H,21,23,26)
InChIKeyHHFVTMGWMNNMQC-UHFFFAOYSA-N
XLogP3.19
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 55535899
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methylbenzamide
CID 7627515
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-piperidin-1-ylbenzamide
CID 46979712
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-pyrazol-1-ylphenyl)benzamide
CID 78866605
4-(1,1-dioxothiazinan-2-yl)-3-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 7685953
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
CID 134030415
N-[3-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]phenyl]thiophene-2-carboxamide
CID 55516148
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 18096126
N-(1,2-benzoxazol-6-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 90130033
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-pyridin-2-ylbenzamide
CID 18107159
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 46979864
[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 18138990

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]-N-(1,3-thiazol-2-yl)benzamide (CID 55669414) is 4-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]-N-(1,3-thiazol-2-yl)benzamide is O=C(Nc1ccc(C(=O)Nc2nccs2)cc1)c1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of 4-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is HHFVTMGWMNNMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4S2/c25-18(15-4-8-17(9-5-15)24-11-1-13-30(24,27)28)22-16-6-2-14(3-7-16)19(26)23-20-21-10-12-29-20/h2-10,12H,1,11,13H2,(H,22,25)(H,21,23,26).
What are the key properties of 4-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]-N-(1,3-thiazol-2-yl)benzamide?
4-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 442.52 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 55669414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).