N-[(2R)-1-methoxypropan-2-yl]-3-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]sulfamoyl]benzamide

C17H23N3O5S — CID 97282836

IUPACN-[(2R)-1-methoxypropan-2-yl]-3-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]sulfamoyl]benzamide
SMILESCOC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N(C)Cc2cc(C)no2)c1
InChIInChI=1S/C17H23N3O5S/c1-12-8-15(25-19-12)10-20(3)26(22,23)16-7-5-6-14(9-16)17(21)18-13(2)11-24-4/h5-9,13H,10-11H2,1-4H3,(H,18,21)/t13-/m1/s1
InChIKeyHCQYHPISSPVNIW-CYBMUJFWSA-N
MW381.45 g/mol
LogP1.57
Rot. Bonds8

About N-[(2R)-1-methoxypropan-2-yl]-3-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]sulfamoyl]benzamide

N-[(2R)-1-methoxypropan-2-yl]-3-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]sulfamoyl]benzamide (PubChem CID 97282836) has the molecular formula C17H23N3O5S and a molecular weight of 381.45 g/mol. Its IUPAC name is N-[(2R)-1-methoxypropan-2-yl]-3-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(2R)-1-methoxypropan-2-yl]-3-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]sulfamoyl]benzamide
PubChem CID97282836
Molecular FormulaC17H23N3O5S
Molecular Weight381.45 g/mol
Exact Mass381.14
IUPAC NameN-[(2R)-1-methoxypropan-2-yl]-3-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]sulfamoyl]benzamide
SMILESCOC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N(C)Cc2cc(C)no2)c1
InChIInChI=1S/C17H23N3O5S/c1-12-8-15(25-19-12)10-20(3)26(22,23)16-7-5-6-14(9-16)17(21)18-13(2)11-24-4/h5-9,13H,10-11H2,1-4H3,(H,18,21)/t13-/m1/s1
InChIKeyHCQYHPISSPVNIW-CYBMUJFWSA-N
XLogP1.57
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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3-(dimethylsulfamoyl)-4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzamide
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3-[benzyl(methyl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-methoxypropan-2-yl]-3-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]sulfamoyl]benzamide?
The IUPAC name of N-[(2R)-1-methoxypropan-2-yl]-3-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]sulfamoyl]benzamide (CID 97282836) is N-[(2R)-1-methoxypropan-2-yl]-3-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]sulfamoyl]benzamide.
What is the SMILES notation for N-[(2R)-1-methoxypropan-2-yl]-3-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]sulfamoyl]benzamide?
The canonical SMILES for N-[(2R)-1-methoxypropan-2-yl]-3-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]sulfamoyl]benzamide is COC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N(C)Cc2cc(C)no2)c1.
What is the InChIKey of N-[(2R)-1-methoxypropan-2-yl]-3-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]sulfamoyl]benzamide?
The InChIKey is HCQYHPISSPVNIW-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N3O5S/c1-12-8-15(25-19-12)10-20(3)26(22,23)16-7-5-6-14(9-16)17(21)18-13(2)11-24-4/h5-9,13H,10-11H2,1-4H3,(H,18,21)/t13-/m1/s1.
What are the key properties of N-[(2R)-1-methoxypropan-2-yl]-3-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]sulfamoyl]benzamide?
N-[(2R)-1-methoxypropan-2-yl]-3-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]sulfamoyl]benzamide has a molecular weight of 381.45 g/mol, XLogP of 1.57, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-methoxypropan-2-yl]-3-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]sulfamoyl]benzamide is sourced from PubChem (CID 97282836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).