N-(4-chloro-2-pyrrol-1-ylphenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

C20H18ClN3O3S — CID 56530330

IUPACN-(4-chloro-2-pyrrol-1-ylphenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1-n1cccc1)c1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C20H18ClN3O3S/c21-16-7-8-18(19(14-16)23-9-1-2-10-23)22-20(25)15-5-3-6-17(13-15)24-11-4-12-28(24,26)27/h1-3,5-10,13-14H,4,11-12H2,(H,22,25)
InChIKeyHQKCEJZSVSIFAG-UHFFFAOYSA-N
MW415.90 g/mol
LogP3.92
Rot. Bonds4

About N-(4-chloro-2-pyrrol-1-ylphenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

N-(4-chloro-2-pyrrol-1-ylphenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 56530330) has the molecular formula C20H18ClN3O3S and a molecular weight of 415.90 g/mol. Its IUPAC name is N-(4-chloro-2-pyrrol-1-ylphenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyrrol-1-ylphenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID56530330
Molecular FormulaC20H18ClN3O3S
Molecular Weight415.90 g/mol
Exact Mass415.08
IUPAC NameN-(4-chloro-2-pyrrol-1-ylphenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1-n1cccc1)c1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C20H18ClN3O3S/c21-16-7-8-18(19(14-16)23-9-1-2-10-23)22-20(25)15-5-3-6-17(13-15)24-11-4-12-28(24,26)27/h1-3,5-10,13-14H,4,11-12H2,(H,22,25)
InChIKeyHQKCEJZSVSIFAG-UHFFFAOYSA-N
XLogP3.92
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.90
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 7482859
N-(3,5-dichlorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 24592557
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-fluorophenyl)benzamide
CID 51309461
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-fluoro-4-methylphenyl)benzamide
CID 18134910
N-(4-amino-3,5-dichlorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 41492455
3-chloro-N-[3-(1,1-dioxothiazinan-2-yl)phenyl]benzamide
CID 112505513
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 51309956
N-[2-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]phenyl]pyrrolidine-1-carboxamide
CID 55972575
N-(2-chloro-4-nitrophenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 7499095
methyl 2-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]benzoate
CID 18134729
N-(4-chloro-2-pyrrol-1-ylphenyl)-3-cyanobenzamide
CID 56530671
N-(3,4-difluorophenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 7686052

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyrrol-1-ylphenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-(4-chloro-2-pyrrol-1-ylphenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (CID 56530330) is N-(4-chloro-2-pyrrol-1-ylphenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-(4-chloro-2-pyrrol-1-ylphenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-(4-chloro-2-pyrrol-1-ylphenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is O=C(Nc1ccc(Cl)cc1-n1cccc1)c1cccc(N2CCCS2(=O)=O)c1.
What is the InChIKey of N-(4-chloro-2-pyrrol-1-ylphenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is HQKCEJZSVSIFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3S/c21-16-7-8-18(19(14-16)23-9-1-2-10-23)22-20(25)15-5-3-6-17(13-15)24-11-4-12-28(24,26)27/h1-3,5-10,13-14H,4,11-12H2,(H,22,25).
What are the key properties of N-(4-chloro-2-pyrrol-1-ylphenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
N-(4-chloro-2-pyrrol-1-ylphenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 415.90 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyrrol-1-ylphenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 56530330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).