N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(2-propan-2-ylphenoxy)propanamide

C19H28N4O4S — CID 108572585

IUPACN-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(2-propan-2-ylphenoxy)propanamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCCNC(=O)C(C)Oc1ccccc1C(C)C
InChIInChI=1S/C19H28N4O4S/c1-12(2)16-8-6-7-9-17(16)27-15(5)19(24)20-10-11-21-28(25,26)18-13(3)22-23-14(18)4/h6-9,12,15,21H,10-11H2,1-5H3,(H,20,24)(H,22,23)
InChIKeyVAPZNNONYJNTGB-UHFFFAOYSA-N
MW408.52 g/mol
LogP2.01
Rot. Bonds9

About N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(2-propan-2-ylphenoxy)propanamide

N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(2-propan-2-ylphenoxy)propanamide (PubChem CID 108572585) has the molecular formula C19H28N4O4S and a molecular weight of 408.52 g/mol. Its IUPAC name is N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(2-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(2-propan-2-ylphenoxy)propanamide
PubChem CID108572585
Molecular FormulaC19H28N4O4S
Molecular Weight408.52 g/mol
Exact Mass408.18
IUPAC NameN-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(2-propan-2-ylphenoxy)propanamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCCNC(=O)C(C)Oc1ccccc1C(C)C
InChIInChI=1S/C19H28N4O4S/c1-12(2)16-8-6-7-9-17(16)27-15(5)19(24)20-10-11-21-28(25,26)18-13(3)22-23-14(18)4/h6-9,12,15,21H,10-11H2,1-5H3,(H,20,24)(H,22,23)
InChIKeyVAPZNNONYJNTGB-UHFFFAOYSA-N
XLogP2.01
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(ethylsulfonylamino)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 108572582
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 112999052
(2S)-N-[2-(dimethylamino)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 30379413
(2R)-N-ethyl-2-(2-propan-2-ylphenoxy)propanamide
CID 92685149
N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(4-fluorophenyl)acetamide
CID 108570983
N-[4-(2-methoxyphenyl)butyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110409207
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 108759067
4-(dimethylamino)-N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]benzamide
CID 108541365
N-(3-propan-2-yloxypropyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 43877163
N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(2-methoxyethoxy)acetamide
CID 108574816
N-[2-(4-fluorophenoxy)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 133239810
(2S)-2-(2-propan-2-ylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 28636194

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(2-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(2-propan-2-ylphenoxy)propanamide (CID 108572585) is N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(2-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(2-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(2-propan-2-ylphenoxy)propanamide is Cc1n[nH]c(C)c1S(=O)(=O)NCCNC(=O)C(C)Oc1ccccc1C(C)C.
What is the InChIKey of N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(2-propan-2-ylphenoxy)propanamide?
The InChIKey is VAPZNNONYJNTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4S/c1-12(2)16-8-6-7-9-17(16)27-15(5)19(24)20-10-11-21-28(25,26)18-13(3)22-23-14(18)4/h6-9,12,15,21H,10-11H2,1-5H3,(H,20,24)(H,22,23).
What are the key properties of N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(2-propan-2-ylphenoxy)propanamide?
N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(2-propan-2-ylphenoxy)propanamide has a molecular weight of 408.52 g/mol, XLogP of 2.01, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(2-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 108572585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).