N-(5-chloro-2-methoxyphenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide

C20H18ClN3O2S — CID 46304966

IUPACN-(5-chloro-2-methoxyphenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCSc1cc(-c2ccccc2)ncn1
InChIInChI=1S/C20H18ClN3O2S/c1-26-18-8-7-15(21)11-17(18)24-19(25)9-10-27-20-12-16(22-13-23-20)14-5-3-2-4-6-14/h2-8,11-13H,9-10H2,1H3,(H,24,25)
InChIKeyQPHAUVPFECSHDY-UHFFFAOYSA-N
MW399.90 g/mol
LogP4.93
Rot. Bonds7

About N-(5-chloro-2-methoxyphenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide

N-(5-chloro-2-methoxyphenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide (PubChem CID 46304966) has the molecular formula C20H18ClN3O2S and a molecular weight of 399.90 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
PubChem CID46304966
Molecular FormulaC20H18ClN3O2S
Molecular Weight399.90 g/mol
Exact Mass399.08
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCSc1cc(-c2ccccc2)ncn1
InChIInChI=1S/C20H18ClN3O2S/c1-26-18-8-7-15(21)11-17(18)24-19(25)9-10-27-20-12-16(22-13-23-20)14-5-3-2-4-6-14/h2-8,11-13H,9-10H2,1H3,(H,24,25)
InChIKeyQPHAUVPFECSHDY-UHFFFAOYSA-N
XLogP4.93
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.90
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propanamide
CID 23804204
N-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 1337784
N-(3,4-dichlorophenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 46304958
N-(5-chloro-2-methoxyphenyl)-2-(4-phenylphenoxy)acetamide
CID 1193872
N-(2,4-dichlorophenyl)-3-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 46305213
N-(5-chloro-2-methoxyphenyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 6416594
N-(5-chloro-2-methoxyphenyl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135403338
N-(5-chloro-2-methoxyphenyl)-2-(2-fluorophenoxy)acetamide
CID 2326605
N-(5-chloro-2-methoxyphenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519286
N-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenoxy)acetamide
CID 870474
3-[[3-cyano-4-(2,3-dimethoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(2,4-dichlorophenyl)propanamide
CID 23917236
(2R)-N-(2,5-dimethoxyphenyl)-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 42345655

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide (CID 46304966) is N-(5-chloro-2-methoxyphenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide is COc1ccc(Cl)cc1NC(=O)CCSc1cc(-c2ccccc2)ncn1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide?
The InChIKey is QPHAUVPFECSHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2S/c1-26-18-8-7-15(21)11-17(18)24-19(25)9-10-27-20-12-16(22-13-23-20)14-5-3-2-4-6-14/h2-8,11-13H,9-10H2,1H3,(H,24,25).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide?
N-(5-chloro-2-methoxyphenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide has a molecular weight of 399.90 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide is sourced from PubChem (CID 46304966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).