N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(4-fluorophenyl)acetamide

C15H19FN4O3S — CID 108570983

IUPACN-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(4-fluorophenyl)acetamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCCNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C15H19FN4O3S/c1-10-15(11(2)20-19-10)24(22,23)18-8-7-17-14(21)9-12-3-5-13(16)6-4-12/h3-6,18H,7-9H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyDACYVVQKZZNAGQ-UHFFFAOYSA-N
MW354.41 g/mol
LogP0.80
Rot. Bonds7

About N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(4-fluorophenyl)acetamide

N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(4-fluorophenyl)acetamide (PubChem CID 108570983) has the molecular formula C15H19FN4O3S and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(4-fluorophenyl)acetamide
PubChem CID108570983
Molecular FormulaC15H19FN4O3S
Molecular Weight354.41 g/mol
Exact Mass354.12
IUPAC NameN-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(4-fluorophenyl)acetamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCCNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C15H19FN4O3S/c1-10-15(11(2)20-19-10)24(22,23)18-8-7-17-14(21)9-12-3-5-13(16)6-4-12/h3-6,18H,7-9H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyDACYVVQKZZNAGQ-UHFFFAOYSA-N
XLogP0.80
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-N-[2-[(2,4,6-trimethylphenyl)sulfonylamino]ethyl]acetamide
CID 52810187
N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(2-methoxyethoxy)acetamide
CID 108574816
4-chloro-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]benzamide
CID 108571162
3-(3,4-dimethoxyphenyl)-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]propanamide
CID 108574262
N-[2-(3,4-difluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110788295
N-[2-(methanesulfonamido)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43420752
N-[[4-(hydroxymethyl)phenyl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 107232097
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(2-fluorophenyl)acetamide
CID 112997690
N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 108572585
2-[[2-(4-fluorophenyl)acetyl]amino]ethylcarbamic acid
CID 69253351
N-(2-chloroethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 65033381
2-(4-fluorophenyl)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]acetamide
CID 60583708

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(4-fluorophenyl)acetamide (CID 108570983) is N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(4-fluorophenyl)acetamide is Cc1n[nH]c(C)c1S(=O)(=O)NCCNC(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is DACYVVQKZZNAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O3S/c1-10-15(11(2)20-19-10)24(22,23)18-8-7-17-14(21)9-12-3-5-13(16)6-4-12/h3-6,18H,7-9H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(4-fluorophenyl)acetamide?
N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 354.41 g/mol, XLogP of 0.80, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 108570983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).