N-(3-morpholin-4-ylsulfonylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide

C19H24N4O4S2 — CID 3909308

IUPACN-(3-morpholin-4-ylsulfonylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)nc(C)c1C
InChIInChI=1S/C19H24N4O4S2/c1-13-14(2)20-19(21-15(13)3)28-12-18(24)22-16-5-4-6-17(11-16)29(25,26)23-7-9-27-10-8-23/h4-6,11H,7-10,12H2,1-3H3,(H,22,24)
InChIKeyKTOAYECWAMFENR-UHFFFAOYSA-N
MW436.56 g/mol
LogP2.15
Rot. Bonds6

About N-(3-morpholin-4-ylsulfonylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide

N-(3-morpholin-4-ylsulfonylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 3909308) has the molecular formula C19H24N4O4S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-(3-morpholin-4-ylsulfonylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylsulfonylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
PubChem CID3909308
Molecular FormulaC19H24N4O4S2
Molecular Weight436.56 g/mol
Exact Mass436.12
IUPAC NameN-(3-morpholin-4-ylsulfonylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)nc(C)c1C
InChIInChI=1S/C19H24N4O4S2/c1-13-14(2)20-19(21-15(13)3)28-12-18(24)22-16-5-4-6-17(11-16)29(25,26)23-7-9-27-10-8-23/h4-6,11H,7-10,12H2,1-3H3,(H,22,24)
InChIKeyKTOAYECWAMFENR-UHFFFAOYSA-N
XLogP2.15
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3-morpholin-4-ylsulfonylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylsulfonylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(3-morpholin-4-ylsulfonylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide (CID 3909308) is N-(3-morpholin-4-ylsulfonylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-morpholin-4-ylsulfonylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(3-morpholin-4-ylsulfonylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide is Cc1nc(SCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)nc(C)c1C.
What is the InChIKey of N-(3-morpholin-4-ylsulfonylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is KTOAYECWAMFENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S2/c1-13-14(2)20-19(21-15(13)3)28-12-18(24)22-16-5-4-6-17(11-16)29(25,26)23-7-9-27-10-8-23/h4-6,11H,7-10,12H2,1-3H3,(H,22,24).
What are the key properties of N-(3-morpholin-4-ylsulfonylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
N-(3-morpholin-4-ylsulfonylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 436.56 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylsulfonylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 3909308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).