N-[5-(4-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide

C16H15N3O4S2 — CID 41226876

IUPACN-[5-(4-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(-c2nnc(NC(=O)c3cccs3)o2)cc1
InChIInChI=1S/C16H15N3O4S2/c1-10(2)25(21,22)12-7-5-11(6-8-12)15-18-19-16(23-15)17-14(20)13-4-3-9-24-13/h3-10H,1-2H3,(H,17,19,20)
InChIKeyXOQFGHMVMKCHSC-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.23
Rot. Bonds5

About N-[5-(4-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide

N-[5-(4-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide (PubChem CID 41226876) has the molecular formula C16H15N3O4S2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[5-(4-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(4-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
PubChem CID41226876
Molecular FormulaC16H15N3O4S2
Molecular Weight377.45 g/mol
Exact Mass377.05
IUPAC NameN-[5-(4-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(-c2nnc(NC(=O)c3cccs3)o2)cc1
InChIInChI=1S/C16H15N3O4S2/c1-10(2)25(21,22)12-7-5-11(6-8-12)15-18-19-16(23-15)17-14(20)13-4-3-9-24-13/h3-10H,1-2H3,(H,17,19,20)
InChIKeyXOQFGHMVMKCHSC-UHFFFAOYSA-N
XLogP3.23
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thiophene-2-carboxamide
CID 6852040
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 43976618
N-[5-(4-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 41227030
N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 43971757
N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 5050382
4-butoxy-N-[5-(4-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41226892
3-propan-2-ylsulfonyl-N-[5-(3-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41227747
N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide
CID 110725523
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[5-(4-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 44922063
N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylacetamide
CID 43974762
3-bromo-N-[5-(3-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41227338
N-[5-(3-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide
CID 41227527

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[5-(4-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide (CID 41226876) is N-[5-(4-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-(4-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-(4-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide is CC(C)S(=O)(=O)c1ccc(-c2nnc(NC(=O)c3cccs3)o2)cc1.
What is the InChIKey of N-[5-(4-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is XOQFGHMVMKCHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S2/c1-10(2)25(21,22)12-7-5-11(6-8-12)15-18-19-16(23-15)17-14(20)13-4-3-9-24-13/h3-10H,1-2H3,(H,17,19,20).
What are the key properties of N-[5-(4-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide?
N-[5-(4-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 41226876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).