N-[(4-chlorophenyl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

C17H17ClN2O3S — CID 20937866

IUPACN-[(4-chlorophenyl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C17H17ClN2O3S/c18-15-6-2-13(3-7-15)12-19-17(21)14-4-8-16(9-5-14)20-10-1-11-24(20,22)23/h2-9H,1,10-12H2,(H,19,21)
InChIKeyULBSREUXJFHETP-UHFFFAOYSA-N
MW364.85 g/mol
LogP2.81
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

N-[(4-chlorophenyl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 20937866) has the molecular formula C17H17ClN2O3S and a molecular weight of 364.85 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID20937866
Molecular FormulaC17H17ClN2O3S
Molecular Weight364.85 g/mol
Exact Mass364.06
IUPAC NameN-[(4-chlorophenyl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C17H17ClN2O3S/c18-15-6-2-13(3-7-15)12-19-17(21)14-4-8-16(9-5-14)20-10-1-11-24(20,22)23/h2-9H,1,10-12H2,(H,19,21)
InChIKeyULBSREUXJFHETP-UHFFFAOYSA-N
XLogP2.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 9404185
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 17409312
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylbenzamide
CID 51246187
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 17497673
N-(5-chloro-2-pyridinyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 51250658
4-chloro-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56685918
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[[3-(phenylmethoxymethyl)phenyl]methyl]benzamide
CID 55693811
methyl 4-[2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]ethyl]benzoate
CID 55514544
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 9398987
N-[(4-chlorophenyl)methyl]-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996629
N-[(4-chlorophenyl)methyl]-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26824193
3-[[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 55878043

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (CID 20937866) is N-[(4-chlorophenyl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is O=C(NCc1ccc(Cl)cc1)c1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is ULBSREUXJFHETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3S/c18-15-6-2-13(3-7-15)12-19-17(21)14-4-8-16(9-5-14)20-10-1-11-24(20,22)23/h2-9H,1,10-12H2,(H,19,21).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
N-[(4-chlorophenyl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 364.85 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 20937866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).