N-benzyl-2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-ethylacetamide

C19H20ClN3OS — CID 1266525

IUPACN-benzyl-2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CSc1nc(C)c(Cl)c(C)c1C#N
InChIInChI=1S/C19H20ClN3OS/c1-4-23(11-15-8-6-5-7-9-15)17(24)12-25-19-16(10-21)13(2)18(20)14(3)22-19/h5-9H,4,11-12H2,1-3H3
InChIKeyUYGMENFYURFJPE-UHFFFAOYSA-N
MW373.91 g/mol
LogP4.36
Rot. Bonds6

About N-benzyl-2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-ethylacetamide

N-benzyl-2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-ethylacetamide (PubChem CID 1266525) has the molecular formula C19H20ClN3OS and a molecular weight of 373.91 g/mol. Its IUPAC name is N-benzyl-2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-ethylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-ethylacetamide
PubChem CID1266525
Molecular FormulaC19H20ClN3OS
Molecular Weight373.91 g/mol
Exact Mass373.10
IUPAC NameN-benzyl-2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CSc1nc(C)c(Cl)c(C)c1C#N
InChIInChI=1S/C19H20ClN3OS/c1-4-23(11-15-8-6-5-7-9-15)17(24)12-25-19-16(10-21)13(2)18(20)14(3)22-19/h5-9H,4,11-12H2,1-3H3
InChIKeyUYGMENFYURFJPE-UHFFFAOYSA-N
XLogP4.36
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.91
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-ethylacetamide?
The IUPAC name of N-benzyl-2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-ethylacetamide (CID 1266525) is N-benzyl-2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-ethylacetamide.
What is the SMILES notation for N-benzyl-2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-ethylacetamide?
The canonical SMILES for N-benzyl-2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-ethylacetamide is CCN(Cc1ccccc1)C(=O)CSc1nc(C)c(Cl)c(C)c1C#N.
What is the InChIKey of N-benzyl-2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-ethylacetamide?
The InChIKey is UYGMENFYURFJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3OS/c1-4-23(11-15-8-6-5-7-9-15)17(24)12-25-19-16(10-21)13(2)18(20)14(3)22-19/h5-9H,4,11-12H2,1-3H3.
What are the key properties of N-benzyl-2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-ethylacetamide?
N-benzyl-2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-ethylacetamide has a molecular weight of 373.91 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-ethylacetamide is sourced from PubChem (CID 1266525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).