N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide

C16H22N4O4S — CID 135088798

IUPACN-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide
SMILESCOCC(NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)c1ccnn1C
InChIInChI=1S/C16H22N4O4S/c1-19-15(9-10-17-19)14(11-24-3)18-16(21)12-5-7-13(8-6-12)20(2)25(4,22)23/h5-10,14H,11H2,1-4H3,(H,18,21)
InChIKeyMWTFINUXGXYTTD-UHFFFAOYSA-N
MW366.44 g/mol
LogP0.93
Rot. Bonds7

About N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide

N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide (PubChem CID 135088798) has the molecular formula C16H22N4O4S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide.

Molecular Properties

Compound NameN-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide
PubChem CID135088798
Molecular FormulaC16H22N4O4S
Molecular Weight366.44 g/mol
Exact Mass366.14
IUPAC NameN-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide
SMILESCOCC(NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)c1ccnn1C
InChIInChI=1S/C16H22N4O4S/c1-19-15(9-10-17-19)14(11-24-3)18-16(21)12-5-7-13(8-6-12)20(2)25(4,22)23/h5-10,14H,11H2,1-4H3,(H,18,21)
InChIKeyMWTFINUXGXYTTD-UHFFFAOYSA-N
XLogP0.93
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 ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide
CID 95127513
N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 99948395
N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(6-methoxypyridazin-3-yl)benzamide
CID 125158366
N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methylindole-6-carboxamide
CID 97198905
2-ethylsulfanyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide
CID 135104273
2-fluoro-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-5-sulfamoylbenzamide
CID 97138029
N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
CID 70766147
N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
CID 91776008
N-[1-(4-methoxyphenoxy)propan-2-yl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 132659634
N-[4-(hydrazinecarbonyl)phenyl]-N-methylmethanesulfonamide
CID 91671626
2-benzyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 70751053
2-cyclohexyl-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 97284536

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide?
The IUPAC name of N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide (CID 135088798) is N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide.
What is the SMILES notation for N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide?
The canonical SMILES for N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide is COCC(NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)c1ccnn1C.
What is the InChIKey of N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide?
The InChIKey is MWTFINUXGXYTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4S/c1-19-15(9-10-17-19)14(11-24-3)18-16(21)12-5-7-13(8-6-12)20(2)25(4,22)23/h5-10,14H,11H2,1-4H3,(H,18,21).
What are the key properties of N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide?
N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide has a molecular weight of 366.44 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide is sourced from PubChem (CID 135088798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).