N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(2-methoxyethoxy)acetamide

C12H22N4O5S — CID 108574816

IUPACN-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)NCCNS(=O)(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C12H22N4O5S/c1-9-12(10(2)16-15-9)22(18,19)14-5-4-13-11(17)8-21-7-6-20-3/h14H,4-8H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyAKYACOJMQXMYTJ-UHFFFAOYSA-N
MW334.40 g/mol
LogP-0.92
Rot. Bonds10

About N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(2-methoxyethoxy)acetamide

N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(2-methoxyethoxy)acetamide (PubChem CID 108574816) has the molecular formula C12H22N4O5S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(2-methoxyethoxy)acetamide.

Molecular Properties

Compound NameN-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(2-methoxyethoxy)acetamide
PubChem CID108574816
Molecular FormulaC12H22N4O5S
Molecular Weight334.40 g/mol
Exact Mass334.13
IUPAC NameN-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)NCCNS(=O)(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C12H22N4O5S/c1-9-12(10(2)16-15-9)22(18,19)14-5-4-13-11(17)8-21-7-6-20-3/h14H,4-8H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyAKYACOJMQXMYTJ-UHFFFAOYSA-N
XLogP-0.92
TPSA122.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(4-fluorophenyl)acetamide
CID 108570983
N-(5-methoxypentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 103914904
3-(3,4-dimethoxyphenyl)-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]propanamide
CID 108574262
N-[2-(methanesulfonamido)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43420752
4-chloro-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]benzamide
CID 108571162
N-(3-chloro-4-methoxybutyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 106245504
N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-2-(2-methoxyethoxy)acetamide
CID 108574823
N-(2-chloroethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 65033381
2-(2-methoxyethoxy)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
CID 108574842
N-butyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43091242
N-[2-(cyclopropylamino)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 62665350
3,5-dimethyl-N-[2-(1H-pyrazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 110731916

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(2-methoxyethoxy)acetamide?
The IUPAC name of N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(2-methoxyethoxy)acetamide (CID 108574816) is N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(2-methoxyethoxy)acetamide.
What is the SMILES notation for N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(2-methoxyethoxy)acetamide?
The canonical SMILES for N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(2-methoxyethoxy)acetamide is COCCOCC(=O)NCCNS(=O)(=O)c1c(C)n[nH]c1C.
What is the InChIKey of N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(2-methoxyethoxy)acetamide?
The InChIKey is AKYACOJMQXMYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O5S/c1-9-12(10(2)16-15-9)22(18,19)14-5-4-13-11(17)8-21-7-6-20-3/h14H,4-8H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(2-methoxyethoxy)acetamide?
N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(2-methoxyethoxy)acetamide has a molecular weight of 334.40 g/mol, XLogP of -0.92, 10 rotatable bonds, 3 hydrogen bond donors, and 6 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-methoxyethoxy)acetamide is sourced from PubChem (CID 108574816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).