N-[2-(benzenesulfonyl)ethyl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide

C16H19F2N3O3S — CID 48680946

IUPACN-[2-(benzenesulfonyl)ethyl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCc1nn(C(F)F)c(C)c1CC(=O)NCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H19F2N3O3S/c1-11-14(12(2)21(20-11)16(17)18)10-15(22)19-8-9-25(23,24)13-6-4-3-5-7-13/h3-7,16H,8-10H2,1-2H3,(H,19,22)
InChIKeyHKOYDBHQRSTIQN-UHFFFAOYSA-N
MW371.41 g/mol
LogP2.03
Rot. Bonds7

About N-[2-(benzenesulfonyl)ethyl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide

N-[2-(benzenesulfonyl)ethyl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide (PubChem CID 48680946) has the molecular formula C16H19F2N3O3S and a molecular weight of 371.41 g/mol. Its IUPAC name is N-[2-(benzenesulfonyl)ethyl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonyl)ethyl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide
PubChem CID48680946
Molecular FormulaC16H19F2N3O3S
Molecular Weight371.41 g/mol
Exact Mass371.11
IUPAC NameN-[2-(benzenesulfonyl)ethyl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCc1nn(C(F)F)c(C)c1CC(=O)NCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H19F2N3O3S/c1-11-14(12(2)21(20-11)16(17)18)10-15(22)19-8-9-25(23,24)13-6-4-3-5-7-13/h3-7,16H,8-10H2,1-2H3,(H,19,22)
InChIKeyHKOYDBHQRSTIQN-UHFFFAOYSA-N
XLogP2.03
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[(2R)-2-phenylbutyl]acetamide
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N-[2-(1,3-benzothiazol-2-yl)propyl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 86858173
N-[2-(3-chlorophenoxy)ethyl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 48659341
N-[2-(benzenesulfonyl)ethyl]-2-methylpropanamide
CID 21034169
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CID 119246060
N-cyclopentyl-3-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanamide
CID 48680303
N-(3,3-diphenylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 24663985
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]acetamide
CID 71883563
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]acetamide
CID 49066002
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(2-methylpyrrolidin-1-yl)ethyl]acetamide
CID 139005200
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide
CID 111481168
N-[2-(benzenesulfonyl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonyl)ethyl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The IUPAC name of N-[2-(benzenesulfonyl)ethyl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide (CID 48680946) is N-[2-(benzenesulfonyl)ethyl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide.
What is the SMILES notation for N-[2-(benzenesulfonyl)ethyl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The canonical SMILES for N-[2-(benzenesulfonyl)ethyl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide is Cc1nn(C(F)F)c(C)c1CC(=O)NCCS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-(benzenesulfonyl)ethyl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The InChIKey is HKOYDBHQRSTIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O3S/c1-11-14(12(2)21(20-11)16(17)18)10-15(22)19-8-9-25(23,24)13-6-4-3-5-7-13/h3-7,16H,8-10H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(benzenesulfonyl)ethyl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide?
N-[2-(benzenesulfonyl)ethyl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide has a molecular weight of 371.41 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonyl)ethyl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide is sourced from PubChem (CID 48680946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).