3-[(3-chlorophenyl)sulfonylamino]-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]propanamide

C18H25ClN4O3S — CID 55834250

IUPAC3-[(3-chlorophenyl)sulfonylamino]-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]propanamide
SMILESCc1cc(C)n(CC(C)CNC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)n1
InChIInChI=1S/C18H25ClN4O3S/c1-13(12-23-15(3)9-14(2)22-23)11-20-18(24)7-8-21-27(25,26)17-6-4-5-16(19)10-17/h4-6,9-10,13,21H,7-8,11-12H2,1-3H3,(H,20,24)
InChIKeyZUBYSJISIZDELE-UHFFFAOYSA-N
MW412.94 g/mol
LogP2.27
Rot. Bonds9

About 3-[(3-chlorophenyl)sulfonylamino]-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]propanamide

3-[(3-chlorophenyl)sulfonylamino]-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]propanamide (PubChem CID 55834250) has the molecular formula C18H25ClN4O3S and a molecular weight of 412.94 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)sulfonylamino]-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]propanamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)sulfonylamino]-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]propanamide
PubChem CID55834250
Molecular FormulaC18H25ClN4O3S
Molecular Weight412.94 g/mol
Exact Mass412.13
IUPAC Name3-[(3-chlorophenyl)sulfonylamino]-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]propanamide
SMILESCc1cc(C)n(CC(C)CNC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)n1
InChIInChI=1S/C18H25ClN4O3S/c1-13(12-23-15(3)9-14(2)22-23)11-20-18(24)7-8-21-27(25,26)17-6-4-5-16(19)10-17/h4-6,9-10,13,21H,7-8,11-12H2,1-3H3,(H,20,24)
InChIKeyZUBYSJISIZDELE-UHFFFAOYSA-N
XLogP2.27
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.94
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorophenyl)-3-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]urea
CID 19590515
3-[(3-chlorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 27648389
3-(cyclopropylsulfamoyl)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]benzamide
CID 51953853
3-chloro-N-[3-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 30132724
N-[3-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-3-oxopropyl]furan-3-carboxamide
CID 94003270
3-[(3-chlorophenyl)sulfonylamino]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 56558319
(2R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylsulfonylpropanamide
CID 94028952
3-[(3-chlorophenyl)sulfonylamino]-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]propanamide
CID 55636249
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(2-methylphenyl)acetamide
CID 94181374
3-[(3-chlorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)propanamide
CID 51162141
3-[(3-chlorophenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)propanamide
CID 27887926
4-chloro-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]pyridine-2-carboxamide
CID 94732274

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)sulfonylamino]-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]propanamide?
The IUPAC name of 3-[(3-chlorophenyl)sulfonylamino]-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]propanamide (CID 55834250) is 3-[(3-chlorophenyl)sulfonylamino]-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]propanamide.
What is the SMILES notation for 3-[(3-chlorophenyl)sulfonylamino]-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]propanamide?
The canonical SMILES for 3-[(3-chlorophenyl)sulfonylamino]-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]propanamide is Cc1cc(C)n(CC(C)CNC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)n1.
What is the InChIKey of 3-[(3-chlorophenyl)sulfonylamino]-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]propanamide?
The InChIKey is ZUBYSJISIZDELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O3S/c1-13(12-23-15(3)9-14(2)22-23)11-20-18(24)7-8-21-27(25,26)17-6-4-5-16(19)10-17/h4-6,9-10,13,21H,7-8,11-12H2,1-3H3,(H,20,24).
What are the key properties of 3-[(3-chlorophenyl)sulfonylamino]-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]propanamide?
3-[(3-chlorophenyl)sulfonylamino]-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]propanamide has a molecular weight of 412.94 g/mol, XLogP of 2.27, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)sulfonylamino]-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]propanamide is sourced from PubChem (CID 55834250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).