[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate

C20H22ClN3O6S — CID 55316057

IUPAC[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
SMILESCc1ccc(C(=O)OC(C)C(=O)Nc2ccc(Cl)cn2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H22ClN3O6S/c1-13-3-4-15(11-17(13)31(27,28)24-7-9-29-10-8-24)20(26)30-14(2)19(25)23-18-6-5-16(21)12-22-18/h3-6,11-12,14H,7-10H2,1-2H3,(H,22,23,25)
InChIKeyKKHJBNUVCOFNBZ-UHFFFAOYSA-N
MW467.93 g/mol
LogP2.25
Rot. Bonds6

About [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate

[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate (PubChem CID 55316057) has the molecular formula C20H22ClN3O6S and a molecular weight of 467.93 g/mol. Its IUPAC name is [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
PubChem CID55316057
Molecular FormulaC20H22ClN3O6S
Molecular Weight467.93 g/mol
Exact Mass467.09
IUPAC Name[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
SMILESCc1ccc(C(=O)OC(C)C(=O)Nc2ccc(Cl)cn2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H22ClN3O6S/c1-13-3-4-15(11-17(13)31(27,28)24-7-9-29-10-8-24)20(26)30-14(2)19(25)23-18-6-5-16(21)12-22-18/h3-6,11-12,14H,7-10H2,1-2H3,(H,22,23,25)
InChIKeyKKHJBNUVCOFNBZ-UHFFFAOYSA-N
XLogP2.25
TPSA114.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.93
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate 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

(1-methoxy-1-oxopropan-2-yl) 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 16568784
[1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 3,4,5-trichloropyridine-2-carboxylate
CID 16509033
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 5012699
methyl 3-[4-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]sulfonyl-4-methylbenzoate
CID 55816049
N-(5-chloro-2-pyridinyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1217132
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 9416375
N-(5-chloro-2-pyridinyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 1102150
[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 42980655
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 7694523
[(2R)-1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 4-[(2,5-dimethylphenyl)sulfonylamino]benzoate
CID 98412961
[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 7790141
(1-morpholin-4-yl-1-oxopropan-2-yl) 4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 16528598

Frequently Asked Questions

What is the IUPAC name of [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate (CID 55316057) is [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate is Cc1ccc(C(=O)OC(C)C(=O)Nc2ccc(Cl)cn2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate?
The InChIKey is KKHJBNUVCOFNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O6S/c1-13-3-4-15(11-17(13)31(27,28)24-7-9-29-10-8-24)20(26)30-14(2)19(25)23-18-6-5-16(21)12-22-18/h3-6,11-12,14H,7-10H2,1-2H3,(H,22,23,25).
What are the key properties of [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate?
[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate has a molecular weight of 467.93 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 55316057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).