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

C19H23ClN4O4S2 — CID 4286213

IUPACN-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)nc(C)c1C
InChIInChI=1S/C19H23ClN4O4S2/c1-12-13(2)21-19(22-14(12)3)29-11-18(25)23-17-10-15(4-5-16(17)20)30(26,27)24-6-8-28-9-7-24/h4-5,10H,6-9,11H2,1-3H3,(H,23,25)
InChIKeyOZXFFUIKJOFURU-UHFFFAOYSA-N
MW471.00 g/mol
LogP2.81
Rot. Bonds6

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

N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 4286213) has the molecular formula C19H23ClN4O4S2 and a molecular weight of 471.00 g/mol. Its IUPAC name is N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
PubChem CID4286213
Molecular FormulaC19H23ClN4O4S2
Molecular Weight471.00 g/mol
Exact Mass470.08
IUPAC NameN-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)nc(C)c1C
InChIInChI=1S/C19H23ClN4O4S2/c1-12-13(2)21-19(22-14(12)3)29-11-18(25)23-17-10-15(4-5-16(17)20)30(26,27)24-6-8-28-9-7-24/h4-5,10H,6-9,11H2,1-3H3,(H,23,25)
InChIKeyOZXFFUIKJOFURU-UHFFFAOYSA-N
XLogP2.81
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.00
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide (CID 4286213) is N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide is Cc1nc(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)nc(C)c1C.
What is the InChIKey of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is OZXFFUIKJOFURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O4S2/c1-12-13(2)21-19(22-14(12)3)29-11-18(25)23-17-10-15(4-5-16(17)20)30(26,27)24-6-8-28-9-7-24/h4-5,10H,6-9,11H2,1-3H3,(H,23,25).
What are the key properties of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 471.00 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 4286213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).