7-chloro-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide

C15H17ClN2O4S — CID 49067816

IUPAC7-chloro-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCCN2CCCS2(=O)=O)oc2c(Cl)cccc12
InChIInChI=1S/C15H17ClN2O4S/c1-10-11-4-2-5-12(16)14(11)22-13(10)15(19)17-6-8-18-7-3-9-23(18,20)21/h2,4-5H,3,6-9H2,1H3,(H,17,19)
InChIKeyRCFRMRVOUYIJHZ-UHFFFAOYSA-N
MW356.83 g/mol
LogP2.16
Rot. Bonds4

About 7-chloro-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide

7-chloro-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 49067816) has the molecular formula C15H17ClN2O4S and a molecular weight of 356.83 g/mol. Its IUPAC name is 7-chloro-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID49067816
Molecular FormulaC15H17ClN2O4S
Molecular Weight356.83 g/mol
Exact Mass356.06
IUPAC Name7-chloro-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCCN2CCCS2(=O)=O)oc2c(Cl)cccc12
InChIInChI=1S/C15H17ClN2O4S/c1-10-11-4-2-5-12(16)14(11)22-13(10)15(19)17-6-8-18-7-3-9-23(18,20)21/h2,4-5H,3,6-9H2,1H3,(H,17,19)
InChIKeyRCFRMRVOUYIJHZ-UHFFFAOYSA-N
XLogP2.16
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.83
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-chloro-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

7-chloro-N-ethyl-3-methyl-1-benzofuran-2-carboxamide
CID 47100020
2-chloro-N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-6-fluorobenzamide
CID 110720919
N-(3-aminopropyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119405924
7-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 17434166
azetidin-1-yl-(7-chloro-3-methyl-1-benzofuran-2-yl)methanone
CID 17439317
N-(2-amino-2-methylpropyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119627028
7-chloro-3-methyl-N-(2-piperidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119556193
7-chloro-3-methyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 55853908
7-chloro-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1-benzofuran-2-carboxamide
CID 87041238
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-hydroxy-5-methylbenzamide
CID 49090758
(7-chloro-3-methyl-1-benzofuran-2-yl)-(4-propylpiperazin-1-yl)methanone
CID 9440318
1-(7-chloro-3-methyl-1-benzofuran-2-yl)propan-1-one
CID 139929639

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 7-chloro-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide (CID 49067816) is 7-chloro-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-chloro-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-chloro-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCCN2CCCS2(=O)=O)oc2c(Cl)cccc12.
What is the InChIKey of 7-chloro-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is RCFRMRVOUYIJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O4S/c1-10-11-4-2-5-12(16)14(11)22-13(10)15(19)17-6-8-18-7-3-9-23(18,20)21/h2,4-5H,3,6-9H2,1H3,(H,17,19).
What are the key properties of 7-chloro-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide?
7-chloro-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 356.83 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 49067816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).