5-ethyl-2-methoxy-N-[5-(1-methylpyrazol-4-yl)-1,2-benzoxazol-3-yl]benzenesulfonamide

C20H20N4O4S — CID 146289029

IUPAC5-ethyl-2-methoxy-N-[5-(1-methylpyrazol-4-yl)-1,2-benzoxazol-3-yl]benzenesulfonamide
SMILESCCc1ccc(OC)c(S(=O)(=O)Nc2noc3ccc(-c4cnn(C)c4)cc23)c1
InChIInChI=1S/C20H20N4O4S/c1-4-13-5-7-18(27-3)19(9-13)29(25,26)23-20-16-10-14(6-8-17(16)28-22-20)15-11-21-24(2)12-15/h5-12H,4H2,1-3H3,(H,22,23)
InChIKeyUPSGDQXDAUJAGO-UHFFFAOYSA-N
MW412.47 g/mol
LogP3.60
Rot. Bonds6

About 5-ethyl-2-methoxy-N-[5-(1-methylpyrazol-4-yl)-1,2-benzoxazol-3-yl]benzenesulfonamide

5-ethyl-2-methoxy-N-[5-(1-methylpyrazol-4-yl)-1,2-benzoxazol-3-yl]benzenesulfonamide (PubChem CID 146289029) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is 5-ethyl-2-methoxy-N-[5-(1-methylpyrazol-4-yl)-1,2-benzoxazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name5-ethyl-2-methoxy-N-[5-(1-methylpyrazol-4-yl)-1,2-benzoxazol-3-yl]benzenesulfonamide
PubChem CID146289029
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC Name5-ethyl-2-methoxy-N-[5-(1-methylpyrazol-4-yl)-1,2-benzoxazol-3-yl]benzenesulfonamide
SMILESCCc1ccc(OC)c(S(=O)(=O)Nc2noc3ccc(-c4cnn(C)c4)cc23)c1
InChIInChI=1S/C20H20N4O4S/c1-4-13-5-7-18(27-3)19(9-13)29(25,26)23-20-16-10-14(6-8-17(16)28-22-20)15-11-21-24(2)12-15/h5-12H,4H2,1-3H3,(H,22,23)
InChIKeyUPSGDQXDAUJAGO-UHFFFAOYSA-N
XLogP3.60
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-ethoxy-1,2-benzoxazol-3-yl)-5-ethyl-2-methoxybenzenesulfonamide
CID 146288847
N-[6-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-ylmethyl)-4-methoxy-1,2-benzoxazol-3-yl]-5-ethyl-2-methoxybenzenesulfonamide
CID 170149960
5-cyclopropyl-2-methoxy-N-[6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]benzenesulfonamide
CID 155411196
tert-butyl 1-[[3-[(5-ethyl-2-methoxyphenyl)sulfonylamino]-4-methyl-1,2-benzoxazol-6-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylate
CID 170148719
N-[2-[[3-[(5-ethyl-2-methoxyphenyl)sulfonylamino]-4-methoxy-1,2-benzoxazol-6-yl]methoxy]ethyl]prop-2-ynamide
CID 169078811
N-(7-bromo-1,2-benzoxazol-3-yl)-5-ethyl-2-methoxybenzenesulfonamide;5-ethyl-2-methoxy-N-(7-pyrimidin-5-yl-1,2-benzoxazol-3-yl)benzenesulfonamide;methane;pyrimidin-5-ylboronic acid
CID 160794421
2-methoxy-N-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-5-(methylsulfonylmethyl)aniline
CID 167829248
2-methoxy-5-(1-methylpyrazol-4-yl)benzenethiol
CID 174151969
2-methoxy-N-(4-methoxy-1,2-benzoxazol-3-yl)-6-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide
CID 146328824
2-methoxy-N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-5-(oxetan-3-yl)benzenesulfonamide
CID 172528014
2-methoxy-N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]benzenesulfonamide
CID 155411211
5-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methoxybenzenesulfonamide
CID 103908024

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methoxy-N-[5-(1-methylpyrazol-4-yl)-1,2-benzoxazol-3-yl]benzenesulfonamide?
The IUPAC name of 5-ethyl-2-methoxy-N-[5-(1-methylpyrazol-4-yl)-1,2-benzoxazol-3-yl]benzenesulfonamide (CID 146289029) is 5-ethyl-2-methoxy-N-[5-(1-methylpyrazol-4-yl)-1,2-benzoxazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 5-ethyl-2-methoxy-N-[5-(1-methylpyrazol-4-yl)-1,2-benzoxazol-3-yl]benzenesulfonamide?
The canonical SMILES for 5-ethyl-2-methoxy-N-[5-(1-methylpyrazol-4-yl)-1,2-benzoxazol-3-yl]benzenesulfonamide is CCc1ccc(OC)c(S(=O)(=O)Nc2noc3ccc(-c4cnn(C)c4)cc23)c1.
What is the InChIKey of 5-ethyl-2-methoxy-N-[5-(1-methylpyrazol-4-yl)-1,2-benzoxazol-3-yl]benzenesulfonamide?
The InChIKey is UPSGDQXDAUJAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S/c1-4-13-5-7-18(27-3)19(9-13)29(25,26)23-20-16-10-14(6-8-17(16)28-22-20)15-11-21-24(2)12-15/h5-12H,4H2,1-3H3,(H,22,23).
What are the key properties of 5-ethyl-2-methoxy-N-[5-(1-methylpyrazol-4-yl)-1,2-benzoxazol-3-yl]benzenesulfonamide?
5-ethyl-2-methoxy-N-[5-(1-methylpyrazol-4-yl)-1,2-benzoxazol-3-yl]benzenesulfonamide has a molecular weight of 412.47 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methoxy-N-[5-(1-methylpyrazol-4-yl)-1,2-benzoxazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 146289029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).