3-(6-phenylpyrimidin-4-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

C23H24N4O3S2 — CID 46304971

IUPAC3-(6-phenylpyrimidin-4-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESO=C(CCSc1cc(-c2ccccc2)ncn1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C23H24N4O3S2/c28-22(12-15-31-23-16-21(24-17-25-23)18-6-2-1-3-7-18)26-19-8-10-20(11-9-19)32(29,30)27-13-4-5-14-27/h1-3,6-11,16-17H,4-5,12-15H2,(H,26,28)
InChIKeyLRGHAWLYKBTFJT-UHFFFAOYSA-N
MW468.60 g/mol
LogP4.05
Rot. Bonds8

About 3-(6-phenylpyrimidin-4-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

3-(6-phenylpyrimidin-4-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide (PubChem CID 46304971) has the molecular formula C23H24N4O3S2 and a molecular weight of 468.60 g/mol. Its IUPAC name is 3-(6-phenylpyrimidin-4-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-(6-phenylpyrimidin-4-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
PubChem CID46304971
Molecular FormulaC23H24N4O3S2
Molecular Weight468.60 g/mol
Exact Mass468.13
IUPAC Name3-(6-phenylpyrimidin-4-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESO=C(CCSc1cc(-c2ccccc2)ncn1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C23H24N4O3S2/c28-22(12-15-31-23-16-21(24-17-25-23)18-6-2-1-3-7-18)26-19-8-10-20(11-9-19)32(29,30)27-13-4-5-14-27/h1-3,6-11,16-17H,4-5,12-15H2,(H,26,28)
InChIKeyLRGHAWLYKBTFJT-UHFFFAOYSA-N
XLogP4.05
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(6-phenylpyrimidin-4-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-dichlorophenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 46304958
2-(2-phenylphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 26252662
3-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 3163464
6-phenyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]pyrimidin-4-amine
CID 108775001
N-(4-piperidin-1-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2412906
4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobutanoate
CID 6968365
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 17354574
2-(2-phenylquinazolin-4-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 1155564
N-[4-(azepan-1-ylsulfonyl)phenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 55499906
2-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 3160801
benzyl-methyl-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]azanium
CID 8901136
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 46304999

Frequently Asked Questions

What is the IUPAC name of 3-(6-phenylpyrimidin-4-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of 3-(6-phenylpyrimidin-4-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide (CID 46304971) is 3-(6-phenylpyrimidin-4-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-(6-phenylpyrimidin-4-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for 3-(6-phenylpyrimidin-4-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide is O=C(CCSc1cc(-c2ccccc2)ncn1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 3-(6-phenylpyrimidin-4-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is LRGHAWLYKBTFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S2/c28-22(12-15-31-23-16-21(24-17-25-23)18-6-2-1-3-7-18)26-19-8-10-20(11-9-19)32(29,30)27-13-4-5-14-27/h1-3,6-11,16-17H,4-5,12-15H2,(H,26,28).
What are the key properties of 3-(6-phenylpyrimidin-4-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
3-(6-phenylpyrimidin-4-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 468.60 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-phenylpyrimidin-4-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 46304971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).