N-(2-ethylpyrazol-3-yl)-2-ethylsulfonyl-2-[(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]acetamide

C20H27FN4O4S — CID 67595789

IUPACN-(2-ethylpyrazol-3-yl)-2-ethylsulfonyl-2-[(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]acetamide
SMILESCCn1nccc1NC(=O)C(NC1CC(C)(C)Oc2ccc(F)cc21)S(=O)(=O)CC
InChIInChI=1S/C20H27FN4O4S/c1-5-25-17(9-10-22-25)24-18(26)19(30(27,28)6-2)23-15-12-20(3,4)29-16-8-7-13(21)11-14(15)16/h7-11,15,19,23H,5-6,12H2,1-4H3,(H,24,26)
InChIKeyQMONHOQSDZDFEL-UHFFFAOYSA-N
MW438.53 g/mol
LogP2.63
Rot. Bonds7

About N-(2-ethylpyrazol-3-yl)-2-ethylsulfonyl-2-[(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]acetamide

N-(2-ethylpyrazol-3-yl)-2-ethylsulfonyl-2-[(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]acetamide (PubChem CID 67595789) has the molecular formula C20H27FN4O4S and a molecular weight of 438.53 g/mol. Its IUPAC name is N-(2-ethylpyrazol-3-yl)-2-ethylsulfonyl-2-[(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2-ethylpyrazol-3-yl)-2-ethylsulfonyl-2-[(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]acetamide
PubChem CID67595789
Molecular FormulaC20H27FN4O4S
Molecular Weight438.53 g/mol
Exact Mass438.17
IUPAC NameN-(2-ethylpyrazol-3-yl)-2-ethylsulfonyl-2-[(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]acetamide
SMILESCCn1nccc1NC(=O)C(NC1CC(C)(C)Oc2ccc(F)cc21)S(=O)(=O)CC
InChIInChI=1S/C20H27FN4O4S/c1-5-25-17(9-10-22-25)24-18(26)19(30(27,28)6-2)23-15-12-20(3,4)29-16-8-7-13(21)11-14(15)16/h7-11,15,19,23H,5-6,12H2,1-4H3,(H,24,26)
InChIKeyQMONHOQSDZDFEL-UHFFFAOYSA-N
XLogP2.63
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylpyrazol-3-yl)-2-ethylsulfonyl-2-[(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]acetamide?
The IUPAC name of N-(2-ethylpyrazol-3-yl)-2-ethylsulfonyl-2-[(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]acetamide (CID 67595789) is N-(2-ethylpyrazol-3-yl)-2-ethylsulfonyl-2-[(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]acetamide.
What is the SMILES notation for N-(2-ethylpyrazol-3-yl)-2-ethylsulfonyl-2-[(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]acetamide?
The canonical SMILES for N-(2-ethylpyrazol-3-yl)-2-ethylsulfonyl-2-[(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]acetamide is CCn1nccc1NC(=O)C(NC1CC(C)(C)Oc2ccc(F)cc21)S(=O)(=O)CC.
What is the InChIKey of N-(2-ethylpyrazol-3-yl)-2-ethylsulfonyl-2-[(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]acetamide?
The InChIKey is QMONHOQSDZDFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O4S/c1-5-25-17(9-10-22-25)24-18(26)19(30(27,28)6-2)23-15-12-20(3,4)29-16-8-7-13(21)11-14(15)16/h7-11,15,19,23H,5-6,12H2,1-4H3,(H,24,26).
What are the key properties of N-(2-ethylpyrazol-3-yl)-2-ethylsulfonyl-2-[(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]acetamide?
N-(2-ethylpyrazol-3-yl)-2-ethylsulfonyl-2-[(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]acetamide has a molecular weight of 438.53 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylpyrazol-3-yl)-2-ethylsulfonyl-2-[(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]acetamide is sourced from PubChem (CID 67595789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).