3-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-methylthiophene-2-carboxamide

C15H15ClN2OS — CID 103403908

IUPAC3-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NCc2ccc3c(c2)CNC3)c1Cl
InChIInChI=1S/C15H15ClN2OS/c1-9-8-20-14(13(9)16)15(19)18-5-10-2-3-11-6-17-7-12(11)4-10/h2-4,8,17H,5-7H2,1H3,(H,18,19)
InChIKeyIGNZBQHTFBRFBN-UHFFFAOYSA-N
MW306.82 g/mol
LogP3.24
Rot. Bonds3

About 3-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-methylthiophene-2-carboxamide

3-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-methylthiophene-2-carboxamide (PubChem CID 103403908) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is 3-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-methylthiophene-2-carboxamide
PubChem CID103403908
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name3-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NCc2ccc3c(c2)CNC3)c1Cl
InChIInChI=1S/C15H15ClN2OS/c1-9-8-20-14(13(9)16)15(19)18-5-10-2-3-11-6-17-7-12(11)4-10/h2-4,8,17H,5-7H2,1H3,(H,18,19)
InChIKeyIGNZBQHTFBRFBN-UHFFFAOYSA-N
XLogP3.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-methylthiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-methylthiophene-2-carboxamide (CID 103403908) is 3-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-methylthiophene-2-carboxamide is Cc1csc(C(=O)NCc2ccc3c(c2)CNC3)c1Cl.
What is the InChIKey of 3-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-methylthiophene-2-carboxamide?
The InChIKey is IGNZBQHTFBRFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c1-9-8-20-14(13(9)16)15(19)18-5-10-2-3-11-6-17-7-12(11)4-10/h2-4,8,17H,5-7H2,1H3,(H,18,19).
What are the key properties of 3-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-methylthiophene-2-carboxamide?
3-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-methylthiophene-2-carboxamide has a molecular weight of 306.82 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 103403908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).