N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-(2,4,6-trimethylphenyl)acetamide

C18H24ClN3O3S — CID 3862589

IUPACN-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-(2,4,6-trimethylphenyl)acetamide
SMILESCCN(C(=O)Cc1c(C)cc(C)cc1C)S(=O)(=O)c1c(C)nn(C)c1Cl
InChIInChI=1S/C18H24ClN3O3S/c1-7-22(26(24,25)17-14(5)20-21(6)18(17)19)16(23)10-15-12(3)8-11(2)9-13(15)4/h8-9H,7,10H2,1-6H3
InChIKeyCUVXIRBGPFCETO-UHFFFAOYSA-N
MW397.93 g/mol
LogP3.09
Rot. Bonds5

About N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-(2,4,6-trimethylphenyl)acetamide

N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-(2,4,6-trimethylphenyl)acetamide (PubChem CID 3862589) has the molecular formula C18H24ClN3O3S and a molecular weight of 397.93 g/mol. Its IUPAC name is N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-(2,4,6-trimethylphenyl)acetamide
PubChem CID3862589
Molecular FormulaC18H24ClN3O3S
Molecular Weight397.93 g/mol
Exact Mass397.12
IUPAC NameN-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-(2,4,6-trimethylphenyl)acetamide
SMILESCCN(C(=O)Cc1c(C)cc(C)cc1C)S(=O)(=O)c1c(C)nn(C)c1Cl
InChIInChI=1S/C18H24ClN3O3S/c1-7-22(26(24,25)17-14(5)20-21(6)18(17)19)16(23)10-15-12(3)8-11(2)9-13(15)4/h8-9H,7,10H2,1-6H3
InChIKeyCUVXIRBGPFCETO-UHFFFAOYSA-N
XLogP3.09
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.93
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-(2,4,6-trimethylphenyl)acetamide (CID 3862589) is N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-(2,4,6-trimethylphenyl)acetamide is CCN(C(=O)Cc1c(C)cc(C)cc1C)S(=O)(=O)c1c(C)nn(C)c1Cl.
What is the InChIKey of N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is CUVXIRBGPFCETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O3S/c1-7-22(26(24,25)17-14(5)20-21(6)18(17)19)16(23)10-15-12(3)8-11(2)9-13(15)4/h8-9H,7,10H2,1-6H3.
What are the key properties of N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-(2,4,6-trimethylphenyl)acetamide?
N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 397.93 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 3862589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).