4-(azepan-1-ylsulfonyl)-N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)benzamide

C21H28N4O4S — CID 4574435

IUPAC4-(azepan-1-ylsulfonyl)-N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(C2CCCCC2)o1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1
InChIInChI=1S/C21H28N4O4S/c26-19(22-21-24-23-20(29-21)17-8-4-3-5-9-17)16-10-12-18(13-11-16)30(27,28)25-14-6-1-2-7-15-25/h10-13,17H,1-9,14-15H2,(H,22,24,26)
InChIKeyBJXTXRYGTGCXPB-UHFFFAOYSA-N
MW432.55 g/mol
LogP3.93
Rot. Bonds5

About 4-(azepan-1-ylsulfonyl)-N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)benzamide

4-(azepan-1-ylsulfonyl)-N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 4574435) has the molecular formula C21H28N4O4S and a molecular weight of 432.55 g/mol. Its IUPAC name is 4-(azepan-1-ylsulfonyl)-N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(azepan-1-ylsulfonyl)-N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID4574435
Molecular FormulaC21H28N4O4S
Molecular Weight432.55 g/mol
Exact Mass432.18
IUPAC Name4-(azepan-1-ylsulfonyl)-N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(C2CCCCC2)o1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1
InChIInChI=1S/C21H28N4O4S/c26-19(22-21-24-23-20(29-21)17-8-4-3-5-9-17)16-10-12-18(13-11-16)30(27,28)25-14-6-1-2-7-15-25/h10-13,17H,1-9,14-15H2,(H,22,24,26)
InChIKeyBJXTXRYGTGCXPB-UHFFFAOYSA-N
XLogP3.93
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 4646426
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 2051187
N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 3562308
N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide
CID 2051270
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 2051172
N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 16863030
4-(azepan-1-ylsulfonyl)-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4049893
N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
CID 2051233
N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
CID 43976412
N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2057813
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 43976686
4-piperidin-1-ylsulfonyl-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4072968

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-ylsulfonyl)-N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 4-(azepan-1-ylsulfonyl)-N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)benzamide (CID 4574435) is 4-(azepan-1-ylsulfonyl)-N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 4-(azepan-1-ylsulfonyl)-N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 4-(azepan-1-ylsulfonyl)-N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)benzamide is O=C(Nc1nnc(C2CCCCC2)o1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1.
What is the InChIKey of 4-(azepan-1-ylsulfonyl)-N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is BJXTXRYGTGCXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4S/c26-19(22-21-24-23-20(29-21)17-8-4-3-5-9-17)16-10-12-18(13-11-16)30(27,28)25-14-6-1-2-7-15-25/h10-13,17H,1-9,14-15H2,(H,22,24,26).
What are the key properties of 4-(azepan-1-ylsulfonyl)-N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)benzamide?
4-(azepan-1-ylsulfonyl)-N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 432.55 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-ylsulfonyl)-N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 4574435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).