2-methoxy-N-[4-methyl-6-[(4-propylpyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl]benzenesulfonamide

C22H24N4O4S — CID 170148592

IUPAC2-methoxy-N-[4-methyl-6-[(4-propylpyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl]benzenesulfonamide
SMILESCCCc1cnn(Cc2cc(C)c3c(NS(=O)(=O)c4ccccc4OC)noc3c2)c1
InChIInChI=1S/C22H24N4O4S/c1-4-7-16-12-23-26(13-16)14-17-10-15(2)21-19(11-17)30-24-22(21)25-31(27,28)20-9-6-5-8-18(20)29-3/h5-6,8-13H,4,7,14H2,1-3H3,(H,24,25)
InChIKeyWHCSPAOTHQLCAQ-UHFFFAOYSA-N
MW440.53 g/mol
LogP4.14
Rot. Bonds8

About 2-methoxy-N-[4-methyl-6-[(4-propylpyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl]benzenesulfonamide

2-methoxy-N-[4-methyl-6-[(4-propylpyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl]benzenesulfonamide (PubChem CID 170148592) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is 2-methoxy-N-[4-methyl-6-[(4-propylpyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[4-methyl-6-[(4-propylpyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl]benzenesulfonamide
PubChem CID170148592
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC Name2-methoxy-N-[4-methyl-6-[(4-propylpyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl]benzenesulfonamide
SMILESCCCc1cnn(Cc2cc(C)c3c(NS(=O)(=O)c4ccccc4OC)noc3c2)c1
InChIInChI=1S/C22H24N4O4S/c1-4-7-16-12-23-26(13-16)14-17-10-15(2)21-19(11-17)30-24-22(21)25-31(27,28)20-9-6-5-8-18(20)29-3/h5-6,8-13H,4,7,14H2,1-3H3,(H,24,25)
InChIKeyWHCSPAOTHQLCAQ-UHFFFAOYSA-N
XLogP4.14
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methoxy-N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]benzenesulfonamide
CID 155411211
N-[6-[[4-[[(4-fluorophenyl)sulfonylamino]methyl]pyrazol-1-yl]methyl]-4-methoxy-1,2-benzoxazol-3-yl]-2-methoxybenzenesulfonamide
CID 169079098
N-[6-[[4-(hydroxymethyl)pyrazol-1-yl]methyl]-4-methoxy-1,2-benzoxazol-3-yl]-2,6-dimethoxybenzenesulfonamide
CID 155411223
2-ethoxy-N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]benzenesulfonamide
CID 155654736
2-[[4-methyl-6-[[4-[(prop-2-ynoylamino)methyl]pyrazol-1-yl]methyl]-1,2-benzoxazol-3-yl]sulfamoyl]benzoic acid
CID 170148574
N-[6-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazol-1-yl]methyl]-4-methoxy-1,2-benzoxazol-3-yl]-2,6-dimethoxybenzenesulfonamide
CID 155654745
N-[6-[(4-fluoropyrazol-1-yl)methyl]-4-methoxy-1,2-benzoxazol-3-yl]-2,6-dimethoxybenzenesulfonamide
CID 155433040
N-[[1-[[3-[(2-fluorophenyl)sulfonylamino]-4-methyl-1,2-benzoxazol-6-yl]methyl]pyrazol-4-yl]methyl]-N-methylprop-2-enamide
CID 170148757
(E)-N-[[1-[[3-[(2-fluorophenyl)sulfonylamino]-4-methoxy-1,2-benzoxazol-6-yl]methyl]pyrazol-4-yl]methyl]-4-methoxybut-2-enamide
CID 169079256
N-[4-chloro-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-2,6-dimethoxybenzenesulfonamide
CID 155423061
N-[4-ethyl-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-2,6-dimethoxybenzenesulfonamide
CID 155411304
2-cyano-N-[[1-[[3-[(2-fluorophenyl)sulfonylamino]-4-methoxy-1,2-benzoxazol-6-yl]methyl]pyrazol-4-yl]methyl]prop-2-enamide
CID 169078992

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-methyl-6-[(4-propylpyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl]benzenesulfonamide?
The IUPAC name of 2-methoxy-N-[4-methyl-6-[(4-propylpyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl]benzenesulfonamide (CID 170148592) is 2-methoxy-N-[4-methyl-6-[(4-propylpyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-[4-methyl-6-[(4-propylpyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-[4-methyl-6-[(4-propylpyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl]benzenesulfonamide is CCCc1cnn(Cc2cc(C)c3c(NS(=O)(=O)c4ccccc4OC)noc3c2)c1.
What is the InChIKey of 2-methoxy-N-[4-methyl-6-[(4-propylpyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl]benzenesulfonamide?
The InChIKey is WHCSPAOTHQLCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c1-4-7-16-12-23-26(13-16)14-17-10-15(2)21-19(11-17)30-24-22(21)25-31(27,28)20-9-6-5-8-18(20)29-3/h5-6,8-13H,4,7,14H2,1-3H3,(H,24,25).
What are the key properties of 2-methoxy-N-[4-methyl-6-[(4-propylpyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl]benzenesulfonamide?
2-methoxy-N-[4-methyl-6-[(4-propylpyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl]benzenesulfonamide has a molecular weight of 440.53 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-methyl-6-[(4-propylpyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 170148592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).