N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(furan-2-yl)propanamide

C16H17ClN2O4S — CID 110302234

IUPACN-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(furan-2-yl)propanamide
SMILESO=C(CCc1ccco1)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1
InChIInChI=1S/C16H17ClN2O4S/c17-14-6-4-12(11-15(14)19-8-2-10-24(19,21)22)18-16(20)7-5-13-3-1-9-23-13/h1,3-4,6,9,11H,2,5,7-8,10H2,(H,18,20)
InChIKeyKDXQCOGBFSTERC-UHFFFAOYSA-N
MW368.84 g/mol
LogP3.04
Rot. Bonds5

About N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(furan-2-yl)propanamide

N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(furan-2-yl)propanamide (PubChem CID 110302234) has the molecular formula C16H17ClN2O4S and a molecular weight of 368.84 g/mol. Its IUPAC name is N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(furan-2-yl)propanamide
PubChem CID110302234
Molecular FormulaC16H17ClN2O4S
Molecular Weight368.84 g/mol
Exact Mass368.06
IUPAC NameN-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(furan-2-yl)propanamide
SMILESO=C(CCc1ccco1)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1
InChIInChI=1S/C16H17ClN2O4S/c17-14-6-4-12(11-15(14)19-8-2-10-24(19,21)22)18-16(20)7-5-13-3-1-9-23-13/h1,3-4,6,9,11H,2,5,7-8,10H2,(H,18,20)
InChIKeyKDXQCOGBFSTERC-UHFFFAOYSA-N
XLogP3.04
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.84
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-(furan-2-yl)propanamide
CID 110303557
N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110621311
N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-ethoxyphenyl)acetamide
CID 7483313
N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methylbenzamide
CID 7638884
2-chloro-N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-fluorobenzamide
CID 7483310
1-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 100674947
N-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-pyridin-3-ylbutanamide
CID 110623052
N-(5-bromo-2-chlorophenyl)-3-(furan-2-yl)propanamide
CID 62909114
4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(methylsulfamoyl)aniline
CID 110621319
N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-nitrobenzamide
CID 7495701
1-(4-butoxyphenyl)-3-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]urea
CID 30375397
N-[3-chloro-4-(1,1-dioxothiazinan-2-yl)phenyl]-3-methylsulfonylpropanamide
CID 110622893

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(furan-2-yl)propanamide?
The IUPAC name of N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(furan-2-yl)propanamide (CID 110302234) is N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(furan-2-yl)propanamide.
What is the SMILES notation for N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(furan-2-yl)propanamide?
The canonical SMILES for N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(furan-2-yl)propanamide is O=C(CCc1ccco1)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1.
What is the InChIKey of N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(furan-2-yl)propanamide?
The InChIKey is KDXQCOGBFSTERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O4S/c17-14-6-4-12(11-15(14)19-8-2-10-24(19,21)22)18-16(20)7-5-13-3-1-9-23-13/h1,3-4,6,9,11H,2,5,7-8,10H2,(H,18,20).
What are the key properties of N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(furan-2-yl)propanamide?
N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(furan-2-yl)propanamide has a molecular weight of 368.84 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(furan-2-yl)propanamide is sourced from PubChem (CID 110302234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).