4-morpholin-4-ylsulfonyl-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide

C18H18N4O5S2 — CID 42110004

IUPAC4-morpholin-4-ylsulfonyl-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(Cc2cccs2)o1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H18N4O5S2/c23-17(19-18-21-20-16(27-18)12-14-2-1-11-28-14)13-3-5-15(6-4-13)29(24,25)22-7-9-26-10-8-22/h1-6,11H,7-10,12H2,(H,19,21,23)
InChIKeyNAJSLNPAJJXVIL-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.00
Rot. Bonds6

About 4-morpholin-4-ylsulfonyl-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide

4-morpholin-4-ylsulfonyl-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 42110004) has the molecular formula C18H18N4O5S2 and a molecular weight of 434.50 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonyl-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonyl-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID42110004
Molecular FormulaC18H18N4O5S2
Molecular Weight434.50 g/mol
Exact Mass434.07
IUPAC Name4-morpholin-4-ylsulfonyl-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(Cc2cccs2)o1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H18N4O5S2/c23-17(19-18-21-20-16(27-18)12-14-2-1-11-28-14)13-3-5-15(6-4-13)29(24,25)22-7-9-26-10-8-22/h1-6,11H,7-10,12H2,(H,19,21,23)
InChIKeyNAJSLNPAJJXVIL-UHFFFAOYSA-N
XLogP2.00
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 43973183
N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 42109993
N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 2155671
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 2051187
N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 43973728
N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 43973184
N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 41028239
4-morpholin-4-ylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 42477459
N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 4646426
N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 45284041
N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
CID 2051233
N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
CID 43973998

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonyl-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-morpholin-4-ylsulfonyl-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 42110004) is 4-morpholin-4-ylsulfonyl-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-morpholin-4-ylsulfonyl-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-morpholin-4-ylsulfonyl-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide is O=C(Nc1nnc(Cc2cccs2)o1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-morpholin-4-ylsulfonyl-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is NAJSLNPAJJXVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O5S2/c23-17(19-18-21-20-16(27-18)12-14-2-1-11-28-14)13-3-5-15(6-4-13)29(24,25)22-7-9-26-10-8-22/h1-6,11H,7-10,12H2,(H,19,21,23).
What are the key properties of 4-morpholin-4-ylsulfonyl-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide?
4-morpholin-4-ylsulfonyl-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 434.50 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylsulfonyl-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 42110004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).