N-cyclopropyl-2-(2,5-dichlorophenyl)sulfanylacetamide

C11H11Cl2NOS — CID 2567501

IUPACN-cyclopropyl-2-(2,5-dichlorophenyl)sulfanylacetamide
SMILESO=C(CSc1cc(Cl)ccc1Cl)NC1CC1
InChIInChI=1S/C11H11Cl2NOS/c12-7-1-4-9(13)10(5-7)16-6-11(15)14-8-2-3-8/h1,4-5,8H,2-3,6H2,(H,14,15)
InChIKeyIIUIZMAFAQGYGF-UHFFFAOYSA-N
MW276.19 g/mol
LogP3.36
Rot. Bonds4

About N-cyclopropyl-2-(2,5-dichlorophenyl)sulfanylacetamide

N-cyclopropyl-2-(2,5-dichlorophenyl)sulfanylacetamide (PubChem CID 2567501) has the molecular formula C11H11Cl2NOS and a molecular weight of 276.19 g/mol. Its IUPAC name is N-cyclopropyl-2-(2,5-dichlorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2,5-dichlorophenyl)sulfanylacetamide
PubChem CID2567501
Molecular FormulaC11H11Cl2NOS
Molecular Weight276.19 g/mol
Exact Mass274.99
IUPAC NameN-cyclopropyl-2-(2,5-dichlorophenyl)sulfanylacetamide
SMILESO=C(CSc1cc(Cl)ccc1Cl)NC1CC1
InChIInChI=1S/C11H11Cl2NOS/c12-7-1-4-9(13)10(5-7)16-6-11(15)14-8-2-3-8/h1,4-5,8H,2-3,6H2,(H,14,15)
InChIKeyIIUIZMAFAQGYGF-UHFFFAOYSA-N
XLogP3.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.19
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2,5-dichlorophenyl)sulfanylacetamide?
The IUPAC name of N-cyclopropyl-2-(2,5-dichlorophenyl)sulfanylacetamide (CID 2567501) is N-cyclopropyl-2-(2,5-dichlorophenyl)sulfanylacetamide.
What is the SMILES notation for N-cyclopropyl-2-(2,5-dichlorophenyl)sulfanylacetamide?
The canonical SMILES for N-cyclopropyl-2-(2,5-dichlorophenyl)sulfanylacetamide is O=C(CSc1cc(Cl)ccc1Cl)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(2,5-dichlorophenyl)sulfanylacetamide?
The InChIKey is IIUIZMAFAQGYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NOS/c12-7-1-4-9(13)10(5-7)16-6-11(15)14-8-2-3-8/h1,4-5,8H,2-3,6H2,(H,14,15).
What are the key properties of N-cyclopropyl-2-(2,5-dichlorophenyl)sulfanylacetamide?
N-cyclopropyl-2-(2,5-dichlorophenyl)sulfanylacetamide has a molecular weight of 276.19 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2,5-dichlorophenyl)sulfanylacetamide is sourced from PubChem (CID 2567501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).