2-[(2-chloro-5-fluorophenyl)methylsulfonylamino]-2-methyl-N-(6-propan-2-yloxy-3-pyridinyl)propanamide

C19H23ClFN3O4S — CID 100780258

IUPAC2-[(2-chloro-5-fluorophenyl)methylsulfonylamino]-2-methyl-N-(6-propan-2-yloxy-3-pyridinyl)propanamide
SMILESCC(C)Oc1ccc(NC(=O)C(C)(C)NS(=O)(=O)Cc2cc(F)ccc2Cl)cn1
InChIInChI=1S/C19H23ClFN3O4S/c1-12(2)28-17-8-6-15(10-22-17)23-18(25)19(3,4)24-29(26,27)11-13-9-14(21)5-7-16(13)20/h5-10,12,24H,11H2,1-4H3,(H,23,25)
InChIKeyAYRDRAGBSCDREW-UHFFFAOYSA-N
MW443.93 g/mol
LogP3.50
Rot. Bonds8

About 2-[(2-chloro-5-fluorophenyl)methylsulfonylamino]-2-methyl-N-(6-propan-2-yloxy-3-pyridinyl)propanamide

2-[(2-chloro-5-fluorophenyl)methylsulfonylamino]-2-methyl-N-(6-propan-2-yloxy-3-pyridinyl)propanamide (PubChem CID 100780258) has the molecular formula C19H23ClFN3O4S and a molecular weight of 443.93 g/mol. Its IUPAC name is 2-[(2-chloro-5-fluorophenyl)methylsulfonylamino]-2-methyl-N-(6-propan-2-yloxy-3-pyridinyl)propanamide.

Molecular Properties

Compound Name2-[(2-chloro-5-fluorophenyl)methylsulfonylamino]-2-methyl-N-(6-propan-2-yloxy-3-pyridinyl)propanamide
PubChem CID100780258
Molecular FormulaC19H23ClFN3O4S
Molecular Weight443.93 g/mol
Exact Mass443.11
IUPAC Name2-[(2-chloro-5-fluorophenyl)methylsulfonylamino]-2-methyl-N-(6-propan-2-yloxy-3-pyridinyl)propanamide
SMILESCC(C)Oc1ccc(NC(=O)C(C)(C)NS(=O)(=O)Cc2cc(F)ccc2Cl)cn1
InChIInChI=1S/C19H23ClFN3O4S/c1-12(2)28-17-8-6-15(10-22-17)23-18(25)19(3,4)24-29(26,27)11-13-9-14(21)5-7-16(13)20/h5-10,12,24H,11H2,1-4H3,(H,23,25)
InChIKeyAYRDRAGBSCDREW-UHFFFAOYSA-N
XLogP3.50
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.93
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2-chloro-5-fluorophenyl)methylsulfonylamino]-2-methyl-N-(6-propan-2-yloxy-3-pyridinyl)propanamide with MolForge

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Related Compounds

2,3-dichloro-3-[(4-chlorobenzyl)sulfinyl]-N-(6-methoxy-3-pyridinyl)acrylamide
CID 1472220
2,3-dichloro-3-[(2-chlorobenzyl)sulfinyl]-N-(6-methoxy-3-pyridinyl)acrylamide
CID 1475345
1-(2-chlorophenyl)-N-(6-methoxypyridin-3-yl)methanesulfonamide
CID 715023
N-(12-chloro-23-methyl-22-oxo-8,19-dioxa-6,23-diazatetracyclo[18.4.0.02,7.09,14]tetracosa-1(24),2(7),3,5,9(14),10,12,20-octaen-4-yl)ethanesulfonamide
CID 118137846
N-[6-(2,4-difluorophenoxy)-5-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)-3-pyridinyl]ethanesulfonamide
CID 137635588
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(6-methoxy-3-pyridinyl)piperidine-4-carboxamide
CID 16330673
N-(6-methoxypyridin-3-yl)-2-[2-(4-methylphenyl)ethenesulfonamido]acetamide
CID 16252168
6-[(2-Chloro-4-fluorophenyl)methoxy]pyridin-3-amine
CID 21114562
5-[[4-[(5-Chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 23133515
1-(4-methylphenyl)sulfonyl-N-[6-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-yl]piperidine-4-carboxamide
CID 51000909
4-chloro-N-[6-[(2-methylpropan-2-yl)oxy]pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 57541678
6-chloro-2-fluoro-N-(6-methoxy-3-pyridinyl)-3-(propylsulfonylamino)benzamide
CID 59418571

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-fluorophenyl)methylsulfonylamino]-2-methyl-N-(6-propan-2-yloxy-3-pyridinyl)propanamide?
The IUPAC name of 2-[(2-chloro-5-fluorophenyl)methylsulfonylamino]-2-methyl-N-(6-propan-2-yloxy-3-pyridinyl)propanamide (CID 100780258) is 2-[(2-chloro-5-fluorophenyl)methylsulfonylamino]-2-methyl-N-(6-propan-2-yloxy-3-pyridinyl)propanamide.
What is the SMILES notation for 2-[(2-chloro-5-fluorophenyl)methylsulfonylamino]-2-methyl-N-(6-propan-2-yloxy-3-pyridinyl)propanamide?
The canonical SMILES for 2-[(2-chloro-5-fluorophenyl)methylsulfonylamino]-2-methyl-N-(6-propan-2-yloxy-3-pyridinyl)propanamide is CC(C)Oc1ccc(NC(=O)C(C)(C)NS(=O)(=O)Cc2cc(F)ccc2Cl)cn1.
What is the InChIKey of 2-[(2-chloro-5-fluorophenyl)methylsulfonylamino]-2-methyl-N-(6-propan-2-yloxy-3-pyridinyl)propanamide?
The InChIKey is AYRDRAGBSCDREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClFN3O4S/c1-12(2)28-17-8-6-15(10-22-17)23-18(25)19(3,4)24-29(26,27)11-13-9-14(21)5-7-16(13)20/h5-10,12,24H,11H2,1-4H3,(H,23,25).
What are the key properties of 2-[(2-chloro-5-fluorophenyl)methylsulfonylamino]-2-methyl-N-(6-propan-2-yloxy-3-pyridinyl)propanamide?
2-[(2-chloro-5-fluorophenyl)methylsulfonylamino]-2-methyl-N-(6-propan-2-yloxy-3-pyridinyl)propanamide has a molecular weight of 443.93 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-fluorophenyl)methylsulfonylamino]-2-methyl-N-(6-propan-2-yloxy-3-pyridinyl)propanamide is sourced from PubChem (CID 100780258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).