N-(3,4-dichlorophenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide

C19H15Cl2N3OS — CID 46304958

IUPACN-(3,4-dichlorophenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
SMILESO=C(CCSc1cc(-c2ccccc2)ncn1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H15Cl2N3OS/c20-15-7-6-14(10-16(15)21)24-18(25)8-9-26-19-11-17(22-12-23-19)13-4-2-1-3-5-13/h1-7,10-12H,8-9H2,(H,24,25)
InChIKeyKXIVGCSGOPAWBA-UHFFFAOYSA-N
MW404.32 g/mol
LogP5.57
Rot. Bonds6

About N-(3,4-dichlorophenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide

N-(3,4-dichlorophenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide (PubChem CID 46304958) has the molecular formula C19H15Cl2N3OS and a molecular weight of 404.32 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
PubChem CID46304958
Molecular FormulaC19H15Cl2N3OS
Molecular Weight404.32 g/mol
Exact Mass403.03
IUPAC NameN-(3,4-dichlorophenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
SMILESO=C(CCSc1cc(-c2ccccc2)ncn1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H15Cl2N3OS/c20-15-7-6-14(10-16(15)21)24-18(25)8-9-26-19-11-17(22-12-23-19)13-4-2-1-3-5-13/h1-7,10-12H,8-9H2,(H,24,25)
InChIKeyKXIVGCSGOPAWBA-UHFFFAOYSA-N
XLogP5.57
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.32
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 46304963
3-(6-phenylpyrimidin-4-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 46304971
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 46304999
N-(5-chloro-2-methoxyphenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 46304966
3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(3,4-dichlorophenyl)propanamide
CID 23833035
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 39773968
N-(3-chlorophenyl)-3-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 46305207
N-(3-chlorophenyl)-3-(6-methylpyrimidin-4-yl)sulfanylpropanamide
CID 46304740
2-(6-phenylpyrimidin-4-yl)sulfanylethanamine;hydrobromide
CID 20982805
N-carbamoyl-2-(6-phenylpyrimidin-4-yl)sulfanylacetamide
CID 16876410
N-(3,4-dichlorophenyl)-2-phenylsulfanylacetamide
CID 767057
prop-2-enyl 4-methyl-2-[3-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxylate
CID 46305004

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide?
The IUPAC name of N-(3,4-dichlorophenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide (CID 46304958) is N-(3,4-dichlorophenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide is O=C(CCSc1cc(-c2ccccc2)ncn1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide?
The InChIKey is KXIVGCSGOPAWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3OS/c20-15-7-6-14(10-16(15)21)24-18(25)8-9-26-19-11-17(22-12-23-19)13-4-2-1-3-5-13/h1-7,10-12H,8-9H2,(H,24,25).
What are the key properties of N-(3,4-dichlorophenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide?
N-(3,4-dichlorophenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide has a molecular weight of 404.32 g/mol, XLogP of 5.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide is sourced from PubChem (CID 46304958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).