N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide

C17H17ClN2O4S — CID 72685448

IUPACN-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(C=CC(=O)Nc2cc(N3CCCS3(=O)=O)ccc2Cl)o1
InChIInChI=1S/C17H17ClN2O4S/c1-12-3-5-14(24-12)6-8-17(21)19-16-11-13(4-7-15(16)18)20-9-2-10-25(20,22)23/h3-8,11H,2,9-10H2,1H3,(H,19,21)
InChIKeyJTDZGNDWXWDJJU-UHFFFAOYSA-N
MW380.85 g/mol
LogP3.43
Rot. Bonds4

About N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide

N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 72685448) has the molecular formula C17H17ClN2O4S and a molecular weight of 380.85 g/mol. Its IUPAC name is N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID72685448
Molecular FormulaC17H17ClN2O4S
Molecular Weight380.85 g/mol
Exact Mass380.06
IUPAC NameN-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(C=CC(=O)Nc2cc(N3CCCS3(=O)=O)ccc2Cl)o1
InChIInChI=1S/C17H17ClN2O4S/c1-12-3-5-14(24-12)6-8-17(21)19-16-11-13(4-7-15(16)18)20-9-2-10-25(20,22)23/h3-8,11H,2,9-10H2,1H3,(H,19,21)
InChIKeyJTDZGNDWXWDJJU-UHFFFAOYSA-N
XLogP3.43
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.85
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(3-nitrophenyl)prop-2-enamide
CID 72685438
N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-cyclopropylpropanamide
CID 110623153
(E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(2-fluoro-4-methylphenyl)prop-2-enamide
CID 31291319
(E)-3-(5-methylfuran-2-yl)-N-[2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]phenyl]prop-2-enamide
CID 1291262
N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4-difluorobenzamide
CID 112505881
(E)-N-(3,4-dimethylphenyl)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]prop-2-enamide
CID 31244089
N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 110623156
methyl N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]carbamate
CID 7638849
3-(5-methylfuran-2-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide
CID 76856320
2,5-dichloro-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide
CID 26891412
N-(4-bromo-3-chlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 923476
N-(2-chloro-3-pyridinyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 4988689

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide (CID 72685448) is N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide is Cc1ccc(C=CC(=O)Nc2cc(N3CCCS3(=O)=O)ccc2Cl)o1.
What is the InChIKey of N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is JTDZGNDWXWDJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4S/c1-12-3-5-14(24-12)6-8-17(21)19-16-11-13(4-7-15(16)18)20-9-2-10-25(20,22)23/h3-8,11H,2,9-10H2,1H3,(H,19,21).
What are the key properties of N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide has a molecular weight of 380.85 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 72685448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).