2-methoxy-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-5-sulfamoylbenzamide

C15H20N4O5S — CID 125170561

IUPAC2-methoxy-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-5-sulfamoylbenzamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H](C)c1nnc(C(C)C)o1
InChIInChI=1S/C15H20N4O5S/c1-8(2)14-18-19-15(24-14)9(3)17-13(20)11-7-10(25(16,21)22)5-6-12(11)23-4/h5-9H,1-4H3,(H,17,20)(H2,16,21,22)/t9-/m1/s1
InChIKeyPVAQXICPFOXNPP-SECBINFHSA-N
MW368.42 g/mol
LogP1.34
Rot. Bonds6

About 2-methoxy-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-5-sulfamoylbenzamide

2-methoxy-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-5-sulfamoylbenzamide (PubChem CID 125170561) has the molecular formula C15H20N4O5S and a molecular weight of 368.42 g/mol. Its IUPAC name is 2-methoxy-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-methoxy-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-5-sulfamoylbenzamide
PubChem CID125170561
Molecular FormulaC15H20N4O5S
Molecular Weight368.42 g/mol
Exact Mass368.12
IUPAC Name2-methoxy-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-5-sulfamoylbenzamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H](C)c1nnc(C(C)C)o1
InChIInChI=1S/C15H20N4O5S/c1-8(2)14-18-19-15(24-14)9(3)17-13(20)11-7-10(25(16,21)22)5-6-12(11)23-4/h5-9H,1-4H3,(H,17,20)(H2,16,21,22)/t9-/m1/s1
InChIKeyPVAQXICPFOXNPP-SECBINFHSA-N
XLogP1.34
TPSA137.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 51164410
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N-(1-cyclobutylethyl)-2-methoxy-5-sulfamoylbenzamide
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2-methoxy-5-sulfamoyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
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2-methoxy-N-[(2R)-octan-2-yl]-5-sulfamoylbenzamide
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CID 35230864
2-methoxy-5-sulfamoylbenzamide;hydrochloride
CID 22748858
N-ethyl-2-methoxy-5-sulfamoylbenzamide
CID 6473438
2-methoxy-N-(2-methylbutyl)-5-sulfamoylbenzamide
CID 65388845
2-methoxy-N-(3-propan-2-yloxypropyl)-5-sulfamoylbenzamide
CID 9292499
2-methoxy-N-[2-(methylamino)propyl]-5-sulfamoylbenzamide;hydrochloride
CID 120828882
1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 2-methoxy-5-sulfamoylbenzoate
CID 47008849

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-5-sulfamoylbenzamide?
The IUPAC name of 2-methoxy-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-5-sulfamoylbenzamide (CID 125170561) is 2-methoxy-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-5-sulfamoylbenzamide.
What is the SMILES notation for 2-methoxy-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-5-sulfamoylbenzamide?
The canonical SMILES for 2-methoxy-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-5-sulfamoylbenzamide is COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H](C)c1nnc(C(C)C)o1.
What is the InChIKey of 2-methoxy-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-5-sulfamoylbenzamide?
The InChIKey is PVAQXICPFOXNPP-SECBINFHSA-N. The full InChI is InChI=1S/C15H20N4O5S/c1-8(2)14-18-19-15(24-14)9(3)17-13(20)11-7-10(25(16,21)22)5-6-12(11)23-4/h5-9H,1-4H3,(H,17,20)(H2,16,21,22)/t9-/m1/s1.
What are the key properties of 2-methoxy-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-5-sulfamoylbenzamide?
2-methoxy-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-5-sulfamoylbenzamide has a molecular weight of 368.42 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-5-sulfamoylbenzamide is sourced from PubChem (CID 125170561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).