N-[3-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]-4-methoxyphenyl]acetamide

C16H22N4O4S — CID 47813010

IUPACN-[3-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]-4-methoxyphenyl]acetamide
SMILESCCN(Cc1cnn(C)c1)S(=O)(=O)c1cc(NC(C)=O)ccc1OC
InChIInChI=1S/C16H22N4O4S/c1-5-20(11-13-9-17-19(3)10-13)25(22,23)16-8-14(18-12(2)21)6-7-15(16)24-4/h6-10H,5,11H2,1-4H3,(H,18,21)
InChIKeyQZKTWKKZXQRCIH-UHFFFAOYSA-N
MW366.44 g/mol
LogP1.60
Rot. Bonds7

About N-[3-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]-4-methoxyphenyl]acetamide

N-[3-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]-4-methoxyphenyl]acetamide (PubChem CID 47813010) has the molecular formula C16H22N4O4S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[3-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]-4-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]-4-methoxyphenyl]acetamide
PubChem CID47813010
Molecular FormulaC16H22N4O4S
Molecular Weight366.44 g/mol
Exact Mass366.14
IUPAC NameN-[3-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]-4-methoxyphenyl]acetamide
SMILESCCN(Cc1cnn(C)c1)S(=O)(=O)c1cc(NC(C)=O)ccc1OC
InChIInChI=1S/C16H22N4O4S/c1-5-20(11-13-9-17-19(3)10-13)25(22,23)16-8-14(18-12(2)21)6-7-15(16)24-4/h6-10H,5,11H2,1-4H3,(H,18,21)
InChIKeyQZKTWKKZXQRCIH-UHFFFAOYSA-N
XLogP1.60
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]-2-methoxyphenyl]acetamide
CID 72872136
5-chloro-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-methoxybenzenesulfonamide
CID 131934877
N-[3-[benzyl(methyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26945772
N-ethyl-2,4-difluoro-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 52783463
N-[1-[5-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]thiophen-2-yl]ethyl]acetamide
CID 47083099
N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-methylsulfonylbenzenesulfonamide
CID 47812984
N-(3-acetamidophenyl)-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide
CID 45372690
3-[benzyl(ethyl)sulfamoyl]-N-(3-chloro-4-methoxyphenyl)-4-methoxybenzamide
CID 2712878
N-[3-[cyclohexyl(methyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 17402561
4-chloro-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 47813014
N-[4-methoxy-3-[methyl-[(5-methylfuran-2-yl)methyl]sulfamoyl]phenyl]acetamide
CID 31391604
N-[3-[(2-chlorophenyl)methyl-methylsulfamoyl]-4-methoxyphenyl]acetamide
CID 9320671

Frequently Asked Questions

What is the IUPAC name of N-[3-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]-4-methoxyphenyl]acetamide?
The IUPAC name of N-[3-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]-4-methoxyphenyl]acetamide (CID 47813010) is N-[3-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]-4-methoxyphenyl]acetamide.
What is the SMILES notation for N-[3-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]-4-methoxyphenyl]acetamide?
The canonical SMILES for N-[3-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]-4-methoxyphenyl]acetamide is CCN(Cc1cnn(C)c1)S(=O)(=O)c1cc(NC(C)=O)ccc1OC.
What is the InChIKey of N-[3-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]-4-methoxyphenyl]acetamide?
The InChIKey is QZKTWKKZXQRCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4S/c1-5-20(11-13-9-17-19(3)10-13)25(22,23)16-8-14(18-12(2)21)6-7-15(16)24-4/h6-10H,5,11H2,1-4H3,(H,18,21).
What are the key properties of N-[3-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]-4-methoxyphenyl]acetamide?
N-[3-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]-4-methoxyphenyl]acetamide has a molecular weight of 366.44 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]-4-methoxyphenyl]acetamide is sourced from PubChem (CID 47813010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).