N-[[5-(4-chloro-6-phenylpyrimidin-2-yl)sulfanyl-2-pyridinyl]carbamoyl]acetamide

C18H14ClN5O2S — CID 141442863

IUPACN-[[5-(4-chloro-6-phenylpyrimidin-2-yl)sulfanyl-2-pyridinyl]carbamoyl]acetamide
SMILESCC(=O)NC(=O)Nc1ccc(Sc2nc(Cl)cc(-c3ccccc3)n2)cn1
InChIInChI=1S/C18H14ClN5O2S/c1-11(25)21-17(26)24-16-8-7-13(10-20-16)27-18-22-14(9-15(19)23-18)12-5-3-2-4-6-12/h2-10H,1H3,(H2,20,21,24,25,26)
InChIKeyGBJSUPAQWSQVKY-UHFFFAOYSA-N
MW399.86 g/mol
LogP4.01
Rot. Bonds4

About N-[[5-(4-chloro-6-phenylpyrimidin-2-yl)sulfanyl-2-pyridinyl]carbamoyl]acetamide

N-[[5-(4-chloro-6-phenylpyrimidin-2-yl)sulfanyl-2-pyridinyl]carbamoyl]acetamide (PubChem CID 141442863) has the molecular formula C18H14ClN5O2S and a molecular weight of 399.86 g/mol. Its IUPAC name is N-[[5-(4-chloro-6-phenylpyrimidin-2-yl)sulfanyl-2-pyridinyl]carbamoyl]acetamide.

Molecular Properties

Compound NameN-[[5-(4-chloro-6-phenylpyrimidin-2-yl)sulfanyl-2-pyridinyl]carbamoyl]acetamide
PubChem CID141442863
Molecular FormulaC18H14ClN5O2S
Molecular Weight399.86 g/mol
Exact Mass399.06
IUPAC NameN-[[5-(4-chloro-6-phenylpyrimidin-2-yl)sulfanyl-2-pyridinyl]carbamoyl]acetamide
SMILESCC(=O)NC(=O)Nc1ccc(Sc2nc(Cl)cc(-c3ccccc3)n2)cn1
InChIInChI=1S/C18H14ClN5O2S/c1-11(25)21-17(26)24-16-8-7-13(10-20-16)27-18-22-14(9-15(19)23-18)12-5-3-2-4-6-12/h2-10H,1H3,(H2,20,21,24,25,26)
InChIKeyGBJSUPAQWSQVKY-UHFFFAOYSA-N
XLogP4.01
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.86
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chloro-6-phenylpyrimidin-2-yl)sulfanyl-2-pyridinyl]carbamoyl]acetamide?
The IUPAC name of N-[[5-(4-chloro-6-phenylpyrimidin-2-yl)sulfanyl-2-pyridinyl]carbamoyl]acetamide (CID 141442863) is N-[[5-(4-chloro-6-phenylpyrimidin-2-yl)sulfanyl-2-pyridinyl]carbamoyl]acetamide.
What is the SMILES notation for N-[[5-(4-chloro-6-phenylpyrimidin-2-yl)sulfanyl-2-pyridinyl]carbamoyl]acetamide?
The canonical SMILES for N-[[5-(4-chloro-6-phenylpyrimidin-2-yl)sulfanyl-2-pyridinyl]carbamoyl]acetamide is CC(=O)NC(=O)Nc1ccc(Sc2nc(Cl)cc(-c3ccccc3)n2)cn1.
What is the InChIKey of N-[[5-(4-chloro-6-phenylpyrimidin-2-yl)sulfanyl-2-pyridinyl]carbamoyl]acetamide?
The InChIKey is GBJSUPAQWSQVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O2S/c1-11(25)21-17(26)24-16-8-7-13(10-20-16)27-18-22-14(9-15(19)23-18)12-5-3-2-4-6-12/h2-10H,1H3,(H2,20,21,24,25,26).
What are the key properties of N-[[5-(4-chloro-6-phenylpyrimidin-2-yl)sulfanyl-2-pyridinyl]carbamoyl]acetamide?
N-[[5-(4-chloro-6-phenylpyrimidin-2-yl)sulfanyl-2-pyridinyl]carbamoyl]acetamide has a molecular weight of 399.86 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chloro-6-phenylpyrimidin-2-yl)sulfanyl-2-pyridinyl]carbamoyl]acetamide is sourced from PubChem (CID 141442863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).