N-[4-[1-(1-ethyl-5-methylpyrazol-4-yl)ethylsulfamoyl]phenyl]acetamide

C16H22N4O3S — CID 22209033

IUPACN-[4-[1-(1-ethyl-5-methylpyrazol-4-yl)ethylsulfamoyl]phenyl]acetamide
SMILESCCn1ncc(C(C)NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1C
InChIInChI=1S/C16H22N4O3S/c1-5-20-12(3)16(10-17-20)11(2)19-24(22,23)15-8-6-14(7-9-15)18-13(4)21/h6-11,19H,5H2,1-4H3,(H,18,21)
InChIKeyNVIJRRFZJFORMI-UHFFFAOYSA-N
MW350.44 g/mol
LogP2.21
Rot. Bonds6

About N-[4-[1-(1-ethyl-5-methylpyrazol-4-yl)ethylsulfamoyl]phenyl]acetamide

N-[4-[1-(1-ethyl-5-methylpyrazol-4-yl)ethylsulfamoyl]phenyl]acetamide (PubChem CID 22209033) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-[4-[1-(1-ethyl-5-methylpyrazol-4-yl)ethylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[1-(1-ethyl-5-methylpyrazol-4-yl)ethylsulfamoyl]phenyl]acetamide
PubChem CID22209033
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC NameN-[4-[1-(1-ethyl-5-methylpyrazol-4-yl)ethylsulfamoyl]phenyl]acetamide
SMILESCCn1ncc(C(C)NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1C
InChIInChI=1S/C16H22N4O3S/c1-5-20-12(3)16(10-17-20)11(2)19-24(22,23)15-8-6-14(7-9-15)18-13(4)21/h6-11,19H,5H2,1-4H3,(H,18,21)
InChIKeyNVIJRRFZJFORMI-UHFFFAOYSA-N
XLogP2.21
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(1-ethyl-5-methylpyrazol-4-yl)sulfamoyl]phenyl]acetamide
CID 22209298
N-[4-[1-(2,4,5-trimethylphenyl)ethylsulfamoyl]phenyl]acetamide
CID 133217936
N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide
CID 3113473
N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 22209016
N-[4-[1-(4-propan-2-ylphenyl)ethylsulfamoyl]phenyl]acetamide
CID 22201175
N-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]acetamide
CID 730422
N-[4-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 39086802
4-chloro-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 22209047
1-(4-butan-2-ylphenyl)-3-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]thiourea
CID 17298310
N-[4-[1-(4-methylphenyl)propylsulfamoyl]phenyl]acetamide
CID 22201131
N-[4-[1-(3,4-dichlorophenyl)ethylsulfamoyl]phenyl]acetamide
CID 42999054
(2R,3R)-2-[(4-acetamidophenyl)sulfonylamino]-3-methylpentanoate
CID 7448572

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(1-ethyl-5-methylpyrazol-4-yl)ethylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[1-(1-ethyl-5-methylpyrazol-4-yl)ethylsulfamoyl]phenyl]acetamide (CID 22209033) is N-[4-[1-(1-ethyl-5-methylpyrazol-4-yl)ethylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[1-(1-ethyl-5-methylpyrazol-4-yl)ethylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[1-(1-ethyl-5-methylpyrazol-4-yl)ethylsulfamoyl]phenyl]acetamide is CCn1ncc(C(C)NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1C.
What is the InChIKey of N-[4-[1-(1-ethyl-5-methylpyrazol-4-yl)ethylsulfamoyl]phenyl]acetamide?
The InChIKey is NVIJRRFZJFORMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-5-20-12(3)16(10-17-20)11(2)19-24(22,23)15-8-6-14(7-9-15)18-13(4)21/h6-11,19H,5H2,1-4H3,(H,18,21).
What are the key properties of N-[4-[1-(1-ethyl-5-methylpyrazol-4-yl)ethylsulfamoyl]phenyl]acetamide?
N-[4-[1-(1-ethyl-5-methylpyrazol-4-yl)ethylsulfamoyl]phenyl]acetamide has a molecular weight of 350.44 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(1-ethyl-5-methylpyrazol-4-yl)ethylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 22209033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).