N-carbamoyl-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide

C10H9ClF3N3O2S — CID 3905338

IUPACN-carbamoyl-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide
SMILESCC(Sc1ncc(C(F)(F)F)cc1Cl)C(=O)NC(N)=O
InChIInChI=1S/C10H9ClF3N3O2S/c1-4(7(18)17-9(15)19)20-8-6(11)2-5(3-16-8)10(12,13)14/h2-4H,1H3,(H3,15,17,18,19)
InChIKeyKGHQYCBGAAUSRH-UHFFFAOYSA-N
MW327.72 g/mol
LogP2.43
Rot. Bonds3

About N-carbamoyl-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide

N-carbamoyl-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide (PubChem CID 3905338) has the molecular formula C10H9ClF3N3O2S and a molecular weight of 327.72 g/mol. Its IUPAC name is N-carbamoyl-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide
PubChem CID3905338
Molecular FormulaC10H9ClF3N3O2S
Molecular Weight327.72 g/mol
Exact Mass327.01
IUPAC NameN-carbamoyl-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide
SMILESCC(Sc1ncc(C(F)(F)F)cc1Cl)C(=O)NC(N)=O
InChIInChI=1S/C10H9ClF3N3O2S/c1-4(7(18)17-9(15)19)20-8-6(11)2-5(3-16-8)10(12,13)14/h2-4H,1H3,(H3,15,17,18,19)
InChIKeyKGHQYCBGAAUSRH-UHFFFAOYSA-N
XLogP2.43
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.72
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide?
The IUPAC name of N-carbamoyl-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide (CID 3905338) is N-carbamoyl-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide.
What is the SMILES notation for N-carbamoyl-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide?
The canonical SMILES for N-carbamoyl-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide is CC(Sc1ncc(C(F)(F)F)cc1Cl)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide?
The InChIKey is KGHQYCBGAAUSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3N3O2S/c1-4(7(18)17-9(15)19)20-8-6(11)2-5(3-16-8)10(12,13)14/h2-4H,1H3,(H3,15,17,18,19).
What are the key properties of N-carbamoyl-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide?
N-carbamoyl-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide has a molecular weight of 327.72 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide is sourced from PubChem (CID 3905338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).