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

C19H22ClN3O5S — CID 3782469

IUPACN-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-(6-methoxy-3-oxo-1,2-dihydroinden-1-yl)acetamide
SMILESCCN(C(=O)CC1CC(=O)c2ccc(OC)cc21)S(=O)(=O)c1c(C)nn(C)c1Cl
InChIInChI=1S/C19H22ClN3O5S/c1-5-23(29(26,27)18-11(2)21-22(3)19(18)20)17(25)9-12-8-16(24)14-7-6-13(28-4)10-15(12)14/h6-7,10,12H,5,8-9H2,1-4H3
InChIKeyCRAWKDPCJPNGOT-UHFFFAOYSA-N
MW439.92 g/mol
LogP2.69
Rot. Bonds6

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

N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-(6-methoxy-3-oxo-1,2-dihydroinden-1-yl)acetamide (PubChem CID 3782469) has the molecular formula C19H22ClN3O5S and a molecular weight of 439.92 g/mol. Its IUPAC name is N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-(6-methoxy-3-oxo-1,2-dihydroinden-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-(6-methoxy-3-oxo-1,2-dihydroinden-1-yl)acetamide
PubChem CID3782469
Molecular FormulaC19H22ClN3O5S
Molecular Weight439.92 g/mol
Exact Mass439.10
IUPAC NameN-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-(6-methoxy-3-oxo-1,2-dihydroinden-1-yl)acetamide
SMILESCCN(C(=O)CC1CC(=O)c2ccc(OC)cc21)S(=O)(=O)c1c(C)nn(C)c1Cl
InChIInChI=1S/C19H22ClN3O5S/c1-5-23(29(26,27)18-11(2)21-22(3)19(18)20)17(25)9-12-8-16(24)14-7-6-13(28-4)10-15(12)14/h6-7,10,12H,5,8-9H2,1-4H3
InChIKeyCRAWKDPCJPNGOT-UHFFFAOYSA-N
XLogP2.69
TPSA98.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.92
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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-(6-methoxy-3-oxo-1,2-dihydroinden-1-yl)acetamide?
The IUPAC name of N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-(6-methoxy-3-oxo-1,2-dihydroinden-1-yl)acetamide (CID 3782469) is N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-(6-methoxy-3-oxo-1,2-dihydroinden-1-yl)acetamide.
What is the SMILES notation for N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-(6-methoxy-3-oxo-1,2-dihydroinden-1-yl)acetamide?
The canonical SMILES for N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-(6-methoxy-3-oxo-1,2-dihydroinden-1-yl)acetamide is CCN(C(=O)CC1CC(=O)c2ccc(OC)cc21)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-(6-methoxy-3-oxo-1,2-dihydroinden-1-yl)acetamide?
The InChIKey is CRAWKDPCJPNGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O5S/c1-5-23(29(26,27)18-11(2)21-22(3)19(18)20)17(25)9-12-8-16(24)14-7-6-13(28-4)10-15(12)14/h6-7,10,12H,5,8-9H2,1-4H3.
What are the key properties of N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-(6-methoxy-3-oxo-1,2-dihydroinden-1-yl)acetamide?
N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-(6-methoxy-3-oxo-1,2-dihydroinden-1-yl)acetamide has a molecular weight of 439.92 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-(6-methoxy-3-oxo-1,2-dihydroinden-1-yl)acetamide is sourced from PubChem (CID 3782469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).