N-[2-[3-[5-(4-acetylphenoxy)-1-ethylpyrazol-3-yl]phenyl]propan-2-yl]ethanesulfonamide

C24H29N3O4S — CID 71274669

IUPACN-[2-[3-[5-(4-acetylphenoxy)-1-ethylpyrazol-3-yl]phenyl]propan-2-yl]ethanesulfonamide
SMILESCCn1nc(-c2cccc(C(C)(C)NS(=O)(=O)CC)c2)cc1Oc1ccc(C(C)=O)cc1
InChIInChI=1S/C24H29N3O4S/c1-6-27-23(31-21-13-11-18(12-14-21)17(3)28)16-22(25-27)19-9-8-10-20(15-19)24(4,5)26-32(29,30)7-2/h8-16,26H,6-7H2,1-5H3
InChIKeyGUGHVMAUANAJIL-UHFFFAOYSA-N
MW455.58 g/mol
LogP4.74
Rot. Bonds9

About N-[2-[3-[5-(4-acetylphenoxy)-1-ethylpyrazol-3-yl]phenyl]propan-2-yl]ethanesulfonamide

N-[2-[3-[5-(4-acetylphenoxy)-1-ethylpyrazol-3-yl]phenyl]propan-2-yl]ethanesulfonamide (PubChem CID 71274669) has the molecular formula C24H29N3O4S and a molecular weight of 455.58 g/mol. Its IUPAC name is N-[2-[3-[5-(4-acetylphenoxy)-1-ethylpyrazol-3-yl]phenyl]propan-2-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-[3-[5-(4-acetylphenoxy)-1-ethylpyrazol-3-yl]phenyl]propan-2-yl]ethanesulfonamide
PubChem CID71274669
Molecular FormulaC24H29N3O4S
Molecular Weight455.58 g/mol
Exact Mass455.19
IUPAC NameN-[2-[3-[5-(4-acetylphenoxy)-1-ethylpyrazol-3-yl]phenyl]propan-2-yl]ethanesulfonamide
SMILESCCn1nc(-c2cccc(C(C)(C)NS(=O)(=O)CC)c2)cc1Oc1ccc(C(C)=O)cc1
InChIInChI=1S/C24H29N3O4S/c1-6-27-23(31-21-13-11-18(12-14-21)17(3)28)16-22(25-27)19-9-8-10-20(15-19)24(4,5)26-32(29,30)7-2/h8-16,26H,6-7H2,1-5H3
InChIKeyGUGHVMAUANAJIL-UHFFFAOYSA-N
XLogP4.74
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[5-(4-acetylphenoxy)-1-ethylpyrazol-3-yl]phenyl]propan-2-yl]ethanesulfonamide?
The IUPAC name of N-[2-[3-[5-(4-acetylphenoxy)-1-ethylpyrazol-3-yl]phenyl]propan-2-yl]ethanesulfonamide (CID 71274669) is N-[2-[3-[5-(4-acetylphenoxy)-1-ethylpyrazol-3-yl]phenyl]propan-2-yl]ethanesulfonamide.
What is the SMILES notation for N-[2-[3-[5-(4-acetylphenoxy)-1-ethylpyrazol-3-yl]phenyl]propan-2-yl]ethanesulfonamide?
The canonical SMILES for N-[2-[3-[5-(4-acetylphenoxy)-1-ethylpyrazol-3-yl]phenyl]propan-2-yl]ethanesulfonamide is CCn1nc(-c2cccc(C(C)(C)NS(=O)(=O)CC)c2)cc1Oc1ccc(C(C)=O)cc1.
What is the InChIKey of N-[2-[3-[5-(4-acetylphenoxy)-1-ethylpyrazol-3-yl]phenyl]propan-2-yl]ethanesulfonamide?
The InChIKey is GUGHVMAUANAJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4S/c1-6-27-23(31-21-13-11-18(12-14-21)17(3)28)16-22(25-27)19-9-8-10-20(15-19)24(4,5)26-32(29,30)7-2/h8-16,26H,6-7H2,1-5H3.
What are the key properties of N-[2-[3-[5-(4-acetylphenoxy)-1-ethylpyrazol-3-yl]phenyl]propan-2-yl]ethanesulfonamide?
N-[2-[3-[5-(4-acetylphenoxy)-1-ethylpyrazol-3-yl]phenyl]propan-2-yl]ethanesulfonamide has a molecular weight of 455.58 g/mol, XLogP of 4.74, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[5-(4-acetylphenoxy)-1-ethylpyrazol-3-yl]phenyl]propan-2-yl]ethanesulfonamide is sourced from PubChem (CID 71274669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).