3-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-phenylbenzamide

C24H23N3O4S — CID 46475375

IUPAC3-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-phenylbenzamide
SMILESO=C(NCc1cccc(C(=O)Nc2ccccc2)c1)c1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C24H23N3O4S/c28-23(20-9-5-12-22(16-20)27-13-6-14-32(27,30)31)25-17-18-7-4-8-19(15-18)24(29)26-21-10-2-1-3-11-21/h1-5,7-12,15-16H,6,13-14,17H2,(H,25,28)(H,26,29)
InChIKeyBSPPRSVSSTUZKS-UHFFFAOYSA-N
MW449.53 g/mol
LogP3.41
Rot. Bonds6

About 3-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-phenylbenzamide

3-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-phenylbenzamide (PubChem CID 46475375) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is 3-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-phenylbenzamide.

Molecular Properties

Compound Name3-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-phenylbenzamide
PubChem CID46475375
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC Name3-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-phenylbenzamide
SMILESO=C(NCc1cccc(C(=O)Nc2ccccc2)c1)c1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C24H23N3O4S/c28-23(20-9-5-12-22(16-20)27-13-6-14-32(27,30)31)25-17-18-7-4-8-19(15-18)24(29)26-21-10-2-1-3-11-21/h1-5,7-12,15-16H,6,13-14,17H2,(H,25,28)(H,26,29)
InChIKeyBSPPRSVSSTUZKS-UHFFFAOYSA-N
XLogP3.41
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,1-dioxothiazinan-2-yl)-N-phenylbenzamide
CID 7686078
N-[2-(benzylamino)-2-oxoethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 55676305
3-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 55876377
4-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-2-methoxybenzoic acid
CID 166181534
3-(1,1-dioxothiazinan-2-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 7659003
3-(1,1-dioxothiazinan-2-yl)-N-[(4-methylphenyl)methyl]benzamide
CID 7685970
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide
CID 41287996
N-(3,5-dichlorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 24592557
3-(1,1-dioxothiazinan-2-yl)-N-(4-phenoxyphenyl)benzamide
CID 92734125
N-(4-cyanophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 18289205
3-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)benzamide
CID 7686047
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[[3-(phenylmethoxymethyl)phenyl]methyl]benzamide
CID 55693811

Frequently Asked Questions

What is the IUPAC name of 3-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-phenylbenzamide?
The IUPAC name of 3-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-phenylbenzamide (CID 46475375) is 3-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-phenylbenzamide.
What is the SMILES notation for 3-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-phenylbenzamide?
The canonical SMILES for 3-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-phenylbenzamide is O=C(NCc1cccc(C(=O)Nc2ccccc2)c1)c1cccc(N2CCCS2(=O)=O)c1.
What is the InChIKey of 3-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-phenylbenzamide?
The InChIKey is BSPPRSVSSTUZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c28-23(20-9-5-12-22(16-20)27-13-6-14-32(27,30)31)25-17-18-7-4-8-19(15-18)24(29)26-21-10-2-1-3-11-21/h1-5,7-12,15-16H,6,13-14,17H2,(H,25,28)(H,26,29).
What are the key properties of 3-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-phenylbenzamide?
3-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-phenylbenzamide has a molecular weight of 449.53 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-phenylbenzamide is sourced from PubChem (CID 46475375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).