N-(2-benzoyl-4-cyano-5-morpholin-4-ylthiophen-3-yl)-2-chloroacetamide

C18H16ClN3O3S — CID 12584108

IUPACN-(2-benzoyl-4-cyano-5-morpholin-4-ylthiophen-3-yl)-2-chloroacetamide
SMILESN#Cc1c(N2CCOCC2)sc(C(=O)c2ccccc2)c1NC(=O)CCl
InChIInChI=1S/C18H16ClN3O3S/c19-10-14(23)21-15-13(11-20)18(22-6-8-25-9-7-22)26-17(15)16(24)12-4-2-1-3-5-12/h1-5H,6-10H2,(H,21,23)
InChIKeyIOLNKDZNZQCZQJ-UHFFFAOYSA-N
MW389.86 g/mol
LogP2.86
Rot. Bonds5

About N-(2-benzoyl-4-cyano-5-morpholin-4-ylthiophen-3-yl)-2-chloroacetamide

N-(2-benzoyl-4-cyano-5-morpholin-4-ylthiophen-3-yl)-2-chloroacetamide (PubChem CID 12584108) has the molecular formula C18H16ClN3O3S and a molecular weight of 389.86 g/mol. Its IUPAC name is N-(2-benzoyl-4-cyano-5-morpholin-4-ylthiophen-3-yl)-2-chloroacetamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-cyano-5-morpholin-4-ylthiophen-3-yl)-2-chloroacetamide
PubChem CID12584108
Molecular FormulaC18H16ClN3O3S
Molecular Weight389.86 g/mol
Exact Mass389.06
IUPAC NameN-(2-benzoyl-4-cyano-5-morpholin-4-ylthiophen-3-yl)-2-chloroacetamide
SMILESN#Cc1c(N2CCOCC2)sc(C(=O)c2ccccc2)c1NC(=O)CCl
InChIInChI=1S/C18H16ClN3O3S/c19-10-14(23)21-15-13(11-20)18(22-6-8-25-9-7-22)26-17(15)16(24)12-4-2-1-3-5-12/h1-5H,6-10H2,(H,21,23)
InChIKeyIOLNKDZNZQCZQJ-UHFFFAOYSA-N
XLogP2.86
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-cyano-5-morpholin-4-ylthiophen-3-yl)-2-chloroacetamide?
The IUPAC name of N-(2-benzoyl-4-cyano-5-morpholin-4-ylthiophen-3-yl)-2-chloroacetamide (CID 12584108) is N-(2-benzoyl-4-cyano-5-morpholin-4-ylthiophen-3-yl)-2-chloroacetamide.
What is the SMILES notation for N-(2-benzoyl-4-cyano-5-morpholin-4-ylthiophen-3-yl)-2-chloroacetamide?
The canonical SMILES for N-(2-benzoyl-4-cyano-5-morpholin-4-ylthiophen-3-yl)-2-chloroacetamide is N#Cc1c(N2CCOCC2)sc(C(=O)c2ccccc2)c1NC(=O)CCl.
What is the InChIKey of N-(2-benzoyl-4-cyano-5-morpholin-4-ylthiophen-3-yl)-2-chloroacetamide?
The InChIKey is IOLNKDZNZQCZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3S/c19-10-14(23)21-15-13(11-20)18(22-6-8-25-9-7-22)26-17(15)16(24)12-4-2-1-3-5-12/h1-5H,6-10H2,(H,21,23).
What are the key properties of N-(2-benzoyl-4-cyano-5-morpholin-4-ylthiophen-3-yl)-2-chloroacetamide?
N-(2-benzoyl-4-cyano-5-morpholin-4-ylthiophen-3-yl)-2-chloroacetamide has a molecular weight of 389.86 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-cyano-5-morpholin-4-ylthiophen-3-yl)-2-chloroacetamide is sourced from PubChem (CID 12584108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).