N-[2-methoxy-5-[2-(3,4,5-trimethylpyrazol-1-yl)ethylsulfamoyl]phenyl]acetamide

C17H24N4O4S — CID 46972031

IUPACN-[2-methoxy-5-[2-(3,4,5-trimethylpyrazol-1-yl)ethylsulfamoyl]phenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)NCCn2nc(C)c(C)c2C)cc1NC(C)=O
InChIInChI=1S/C17H24N4O4S/c1-11-12(2)20-21(13(11)3)9-8-18-26(23,24)15-6-7-17(25-5)16(10-15)19-14(4)22/h6-7,10,18H,8-9H2,1-5H3,(H,19,22)
InChIKeyXYFAWWJXCBWBGP-UHFFFAOYSA-N
MW380.47 g/mol
LogP1.75
Rot. Bonds7

About N-[2-methoxy-5-[2-(3,4,5-trimethylpyrazol-1-yl)ethylsulfamoyl]phenyl]acetamide

N-[2-methoxy-5-[2-(3,4,5-trimethylpyrazol-1-yl)ethylsulfamoyl]phenyl]acetamide (PubChem CID 46972031) has the molecular formula C17H24N4O4S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[2-methoxy-5-[2-(3,4,5-trimethylpyrazol-1-yl)ethylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[2-(3,4,5-trimethylpyrazol-1-yl)ethylsulfamoyl]phenyl]acetamide
PubChem CID46972031
Molecular FormulaC17H24N4O4S
Molecular Weight380.47 g/mol
Exact Mass380.15
IUPAC NameN-[2-methoxy-5-[2-(3,4,5-trimethylpyrazol-1-yl)ethylsulfamoyl]phenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)NCCn2nc(C)c(C)c2C)cc1NC(C)=O
InChIInChI=1S/C17H24N4O4S/c1-11-12(2)20-21(13(11)3)9-8-18-26(23,24)15-6-7-17(25-5)16(10-15)19-14(4)22/h6-7,10,18H,8-9H2,1-5H3,(H,19,22)
InChIKeyXYFAWWJXCBWBGP-UHFFFAOYSA-N
XLogP1.75
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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N-[2-methoxy-5-(pentylsulfamoyl)phenyl]acetamide
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N-[5-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propylsulfamoyl]-2-methoxyphenyl]acetamide
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N-[5-[2-(4-tert-butylphenoxy)ethylsulfamoyl]-2-methoxyphenyl]acetamide
CID 8801525
N-[2-methoxy-5-[(2-methylpropan-2-yl)oxysulfamoyl]phenyl]acetamide
CID 82725075
N-[2-methoxy-5-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 7343262
1-(cyclopropanecarbonyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 46972315
N-[5-[[(2S)-butan-2-yl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 8777670
N-[5-(furan-2-ylmethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 2991258
N-[2-methoxy-5-[(6-methoxynaphthalen-2-yl)methylsulfamoyl]phenyl]acetamide
CID 46696333

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[2-(3,4,5-trimethylpyrazol-1-yl)ethylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[2-methoxy-5-[2-(3,4,5-trimethylpyrazol-1-yl)ethylsulfamoyl]phenyl]acetamide (CID 46972031) is N-[2-methoxy-5-[2-(3,4,5-trimethylpyrazol-1-yl)ethylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[2-methoxy-5-[2-(3,4,5-trimethylpyrazol-1-yl)ethylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[2-methoxy-5-[2-(3,4,5-trimethylpyrazol-1-yl)ethylsulfamoyl]phenyl]acetamide is COc1ccc(S(=O)(=O)NCCn2nc(C)c(C)c2C)cc1NC(C)=O.
What is the InChIKey of N-[2-methoxy-5-[2-(3,4,5-trimethylpyrazol-1-yl)ethylsulfamoyl]phenyl]acetamide?
The InChIKey is XYFAWWJXCBWBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4S/c1-11-12(2)20-21(13(11)3)9-8-18-26(23,24)15-6-7-17(25-5)16(10-15)19-14(4)22/h6-7,10,18H,8-9H2,1-5H3,(H,19,22).
What are the key properties of N-[2-methoxy-5-[2-(3,4,5-trimethylpyrazol-1-yl)ethylsulfamoyl]phenyl]acetamide?
N-[2-methoxy-5-[2-(3,4,5-trimethylpyrazol-1-yl)ethylsulfamoyl]phenyl]acetamide has a molecular weight of 380.47 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[2-(3,4,5-trimethylpyrazol-1-yl)ethylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 46972031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).